3,4-Dimethoxybenzyl alcohol
PubChem CID: 7118
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| Compound Synonyms | 3,4-Dimethoxybenzyl alcohol, 93-03-8, (3,4-Dimethoxyphenyl)methanol, VERATRYL ALCOHOL, Benzenemethanol, 3,4-dimethoxy-, 3,4-Dimethoxyphenylmethyl alcohol, veratrole alcohol, MFCD00004638, 3,4-dimethoxybenzenemethanol, dimethoxybenzyl alcohol, UNII-MB4T4A711H, VERATRALCOHOL, NSC 6317, NSC-6317, EINECS 202-212-0, 3,4-dimethoxy-benzyl alcohol, AI3-24181, MB4T4A711H, DTXSID1059076, CHEBI:62150, VERAPAMIL HYDROCHLORIDE IMPURITY E [EP IMPURITY], VERAPAMIL HYDROCHLORIDE IMPURITY E (EP IMPURITY), 3,4-dimethoxybenzyl methanol, VOH, Veratryl alcohol (8CI), 3,4dimethoxybenzyl alcohol, bmse010029, 3,4-Dimethoxybenzyl alcohol (Veratryl alcohol), Benzenemethanol,4-dimethoxy-, Benzenemethanol, 3,4dimethoxy, SCHEMBL119395, VERATRYL ALCOHOL [INCI], (3,4-dimethoxyphenyl)-methanol, 3,4Dimethoxyphenylmethyl alcohol, DTXCID2048826, NSC6317, (3,4-Dimethoxyphenyl)methanol #, [3,4-bis(methyloxy)phenyl]methanol, 3,4-Dimethoxybenzyl alcohol, 96%, BBL027469, s3213, STL373549, DIMETHOXYBENZYL ALCOHOL [INCI], AKOS000119346, FD10790, SY001541, DB-057359, HY-107858, CS-0030741, NS00039520, V0020, EN300-20192, C21420, (3,4-Dimethoxyphenyl)methanol, Veratryl alcohol, Q410698, Q27160083, F0001-2235, Z104477212 |
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| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccCO))ccc6OC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxybenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3,4-dimethoxyphenyl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | OEGPRYNGFWGMMV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 3,4-dimethoxybenzyl alcohol, veratryl alcohol |
| Esol Class | Very soluble |
| Functional Groups | CO, cOC |
| Compound Name | 3,4-Dimethoxybenzyl alcohol |
| Exact Mass | 168.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 168.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)CO)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Fragaria Vesca (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3095 - 3. Outgoing r'ship
FOUND_INto/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1345