Anisyl formate
PubChem CID: 61054
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| Compound Synonyms | 4-Methoxybenzyl formate, Anisyl formate, 122-91-8, p-Methoxybenzyl formate, (4-methoxyphenyl)methyl formate, Anisyl methanoate, Benzenemethanol, 4-methoxy-, 1-formate, Anisyl alcohol, formate, BENZENEMETHANOL, 4-METHOXY-, FORMATE, p-Methoxybenzyl alcohol, formate, 4-Methoxybenzenemethyl formate, p-Anisyl formate, Benzyl alcohol, p-methoxy-, formate, FEMA No. 2101, Anisyl formate (natural), Methoxybenzyl methanoate, p-, UNII-7N0ADO5BXI, 7N0ADO5BXI, NSC 5949, EINECS 204-582-9, DTXSID7047649, AI3-02941, NSC-5949, p-Methoxybenzyl methanoate, ANISYL FORMATE [FCC], ANISYL FORMATE [FHFI], DTXCID5027649, FEMA 2101, para-anisyl formate, pMethoxybenzyl formate, 4Methoxybenzyl formate, Methoxybenzyl methanoate, p, 4-Methoxybenzyl formic acid, SCHEMBL6342, 4Methoxybenzenemethyl formate, (4-methoxyphenyl)methyl ormate, pMethoxybenzyl alcohol, formate, CHEMBL3188181, NSC5949, Benzyl alcohol, pmethoxy, formate, CHEBI:173752, Benzenemethanol, 4methoxy, formate, (4-Methoxyphenyl)methyl formic acid, Benzenemethanol, 4methoxy, 1formate, Tox21_302535, Anisyl formate, >=90%, FCC, FG, AKOS024319071, NCGC00256666-01, AS-63839, CAS-122-91-8, Benzyl alcohol, p-methoxy-, formate (8CI), NS00011988, Q27268587, (4-Anisyl)methyl Formate, 4-Methoxybenzyl Formate, Anisyl Formate, NSC 5949, , 204-582-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | COcccccc6))COC=O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | It is used extensively in food flavouring |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyloxycarbonyls |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-methoxyphenyl)methyl formate |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.7 |
| Superclass | Benzenoids |
| Subclass | Benzyloxycarbonyls |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | XPDORSROGAZEGY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4-Methoxybenzenemethyl formate, 4-Methoxybenzyl formate, Anisyl alcohol, formate, Anisyl formate, Anisyl methanoate, Benzenemethanol, 4-methoxy-, 1-formate, Benzenemethanol, 4-methoxy-, formate, Benzyl alcohol, p-methoxy-, formate, Benzyl alcohol, p-methoxy-, formate (8CI), FEMA 2101, Methoxybenzyl methanoate, p-, P-anisyl formate, P-methoxybenzyl alcohol, formate, P-methoxybenzyl formate, P-Methoxybenzyl methanoate, 4-Methoxybenzyl formic acid, Benzyl alcohol, P-methoxy-, formate, Benzyl alcohol, P-methoxy-, formate (8ci), P-Anisyl formate, P-Methoxybenzyl alcohol, formate, P-Methoxybenzyl formate, (4-Methoxyphenyl)methyl formic acid, p-anisyl formate |
| Esol Class | Soluble |
| Functional Groups | COC=O, cOC |
| Compound Name | Anisyl formate |
| Kingdom | Organic compounds |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3 |
| Smiles | COC1=CC=C(C=C1)COC=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzyloxycarbonyls |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
- 1. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933