Furfuryl alcohol
PubChem CID: 7361
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| Compound Synonyms | FURFURYL ALCOHOL, 98-00-0, 2-Furanmethanol, 2-Furylmethanol, furan-2-ylmethanol, 2-Furancarbinol, Furfural alcohol, 2-Furylcarbinol, 2-Furanylmethanol, Furfuranol, 2-Furfuryl alcohol, Furfurylalcohol, Furfuralcohol, 5-Hydroxymethylfuran, 2-(Hydroxymethyl)furan, Furyl alcohol, 2-Hydroxymethylfuran, Furylcarbinol, alpha-Furylcarbinol, Furan-2-yl-methanol, 2-Furfurylalkohol, Furfurylcarb, (2-furyl)methanol, Methanol, (2-furyl)-, 2-hydroxymethylfurane, 2-Furane-methanol, Furanmethanol, Furylcarbinol (VAN), NCI-C56224, 2-furanemethanol, FEMA No. 2491, Furan-2-methanol, NSC 8843, (furan-2-yl)methanol, CCRIS 2922, HSDB 711, DTXSID2025347, CHEBI:207496, EINECS 202-626-1, Qo furfuryl alcohol, UNII-D582054MUH, BRN 0106291, Furfurylalcohol-d2, .alpha.-Furylcarbinol, alpha-Furfuryl alcohol, AI3-01171, D582054MUH, NSC-8843, .alpha.-Furfuryl alcohol, DTXCID105347, EC 202-626-1, 5-17-03-00338 (Beilstein Handbook Reference), Furfuryl alcohol, 98%, (2-FURYL)-METHANOL (FURFURYLALCOHOL), FURFURYL ALCOHOL (IARC), FURFURYL ALCOHOL [IARC], 2-Furfurylalkohol [Czech], CAS-98-00-0, MFCD00003252, UN2874, 2-Hydroxymethylfuran, 2-Furylmethanol, 2-Furfurylalcohol, furylmethanol, 2-Furfurylalcohol, alpha -Furylcarbinol, PFFA, methanol, 2-furyl-, (2-furyl)-Methanol, Furfuryl alcohol [UN2874] [Poison], 2-Hydroxymethyl-Furan, alpha -Furfuryl alcohol, Furfuryl alcohol, 8CI, 2- FURANCARBINOL, 2- FURANYLMETHANOL, 2-Furfurylalkohol(CZECH), Epitope ID:136037, furfuryl alcohol (furfurol), WLN: T5OJ B1Q, CHEM-REZ 200, 2-Furane-methanol (furfurol), FURFURYL ALCOHOL [MI], FURFURYL ALCOHOL [FCC], CHEMBL308187, FURFURYL ALCOHOL [FHFI], FURFURYL ALCOHOL [HSDB], CHEBI:53371, FEMA 2491, Furfuryl alcohol, >=97%, FG, NSC8843, 2-Furanmethanol (furfuryl alcohol), 2-Furylmethanol (ACD/Name 4.0), STR01021, Tox21_202102, Tox21_303093, Furfuryl alcohol, analytical standard, AKOS000119178, UN 2874, Furfuryl alcohol [UN2874] [Poison], Furfuryl alcohol, natural, >=95%, FG, NCGC00249166-01, NCGC00256987-01, NCGC00259651-01, 93793-62-5, DB-016149, DB-254877, F0076, NS00003728, EN300-19106, C20441, Q27335, A845784, F0001-2310, Z104472794, InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H, 202-626-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Furans |
| Deep Smiles | OCcccco5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Isolated from coffee aroma, tea, wheat bread, crispbread, soybean, cocoa, rice, potato chips and other sources. Flavouring ingredient. 2-Furanmethanol is found in many foods, some of which are sesame, pulses, white mustard, and potato. |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275, Q16236, Q03181 |
| Iupac Name | furan-2-ylmethanol |
| Prediction Hob | 1.0 |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.3 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H6O2 |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XPFVYQJUAUNWIW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2 |
| Logs | 0.231 |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Logd | 0.795 |
| Synonyms | (2-Furyl)-methanol, (2-FURYL)-METHANOL (FURFURYLALCOHOL), (2-Furyl)methanol, &alpha, -furfuryl alcohol, &alpha, -furylcarbinol, 2-(Hydroxymethyl)furan, 2-Furancarbinol, 2-Furane-methanol, 2-Furane-methanol (furfurol), 2-furanemethanol, 2-Furanmethanol (furfuryl alcohol), 2-Furanmethanol, homopolymer, 2-Furanylmethanol, 2-Furfuryl alcohol, 2-Furfurylalkohol, 2-Furylcarbinol, 2-Furylmethanol, 2-Furylmethanol (acd/name 4.0), 2-Hydroxymethylfuran, 2-hydroxymethylfurane, 5-Hydroxymethylfuran, 5-Hydroxymethylfuranal, a-Furylcarbinol, alpha -Furfuryl alcohol, alpha -Furylcarbinol, alpha-Furfuryl alcohol, alpha-Furylcarbinol, FEMA 2491, furan-2-methanol, Furan-2-yl-methanol, Furan-2-ylmethanol, Furanmethanol, Furfural alcohol, Furfuralcohol, Furfuranol, Furfuryl alcohol, Furfuryl alcohol (furfurol), Furfuryl alcohol [UN2874] [Poison], Furfuryl alcohol, 8CI, Furfurylcarb, Furyl alcohol, Furylcarbinol, Furylcarbinol (van), Methanol, (2-furyl)-, Qo furfuryl alcohol, α-furylcarbinol, 2-Hydroxymethylfurane, Α-furylcarbinol, 2-Furanmethanol, (2-FURYL)-methanol (furfurylalcohol), 2-Furanemethanol, Furan-2-methanol, Furfurol, Furfuryl alcohol, 8ci, qo Furfuryl alcohol, 2-furanmethanol, 2-furanmethanol⁄, 2-furfuryl alcohol, furfurol, furfuryl alcohol, furfuryl alcohol, furfurylalcohol |
| Substituent Name | Heteroaromatic compound, Furan, Oxacycle, Hydrocarbon derivative, Aromatic alcohol, Primary alcohol, Organooxygen compound, Alcohol, Aromatic heteromonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CO, coc |
| Compound Name | Furfuryl alcohol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 98.0368 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0368 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 98.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.0871976285714284 |
| Inchi | InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 |
| Smiles | C1=COC(=C1)CO |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
| Np Classifier Superclass | Cyclic polyketides |
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