Benzohydrol
PubChem CID: 7037
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| Compound Synonyms | Diphenylmethanol, BENZHYDROL, 91-01-0, Diphenylcarbinol, Benzohydrol, Benzhydryl alcohol, Hydroxydiphenylmethane, Diphenyl carbinol, Diphenylmethyl alcohol, alpha-Phenylbenzenemethanol, Benzenemethanol, .alpha.-phenyl-, diphenyl methanol, diphenyl-methanol, Benzenemethanol, alpha-phenyl-, NSC 32150, S4HQ1H8OWD, EINECS 202-033-8, BRN 1424379, AI3-03066, BENZOHYDROL [MI], alpha-phenylbenzyl alcohol, MFCD00004488, NSC-32150, BENZHYDROL [USP-RS], Diphenylmethanol (Benzhydrol), DIMENHYDRINATE IMPURITY I, DTXSID2059015, DIPHENHYDRAMINE IMPURITY D, BENZHYDROL [USP IMPURITY], CHEBI:156087, 4-06-00-04648 (Beilstein Handbook Reference), DIMENHYDRINATE IMPURITY I [EP IMPURITY], BENZHYDROL (USP-RS), BENZHYDROL (USP IMPURITY), DIPHENHYDRAMINE HYDROCHLORIDE IMPURITY D [EP IMPURITY], 1219802-30-8, DIMENHYDRINATE IMPURITY I (EP IMPURITY), UNII-S4HQ1H8OWD, DIPHENHYDRAMINE HYDROCHLORIDE IMPURITY D (EP IMPURITY), Cyclizine impurity B, 1gt5, Diphenylmethanol, 99%, alphaPhenylbenzenemethanol, CINNARAZINE_met011, Benzenemethanol, alphaphenyl, .alpha.-Phenylbenzyl alcohol, SCHEMBL41571, .alpha.-Phenylbenzenemethanol, Benzhydrol (Diphenylmethanol), CHEMBL2386190, DTXCID6048707, QILSFLSDHQAZET-UHFFFAOYSA-, Diphenylcarbinol, Diphenylmethanol, NSC32150, STR05017, STL477628, AKOS000120483, AC-5134, CS-W004059, FB31414, HY-W004059, DB-037975, D0898, Diphenylmethanol, puriss., >=99.0% (GC), NS00011999, EN300-20463, D77647, Q418377, F0001-2215, Z104478280, Benzhydrol, United States Pharmacopeia (USP) Reference Standard, Cyclizine impurity B, European Pharmacopoeia (EP) Reference Standard, InChI=1/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Deep Smiles | OCcccccc6))))))cccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCCC2)CC1 |
| Classyfire Subclass | Diphenylmethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | diphenylmethanol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H12O |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ccccc2)cc1 |
| Inchi Key | QILSFLSDHQAZET-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | diphenylmethanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Benzohydrol |
| Exact Mass | 184.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 184.23 |
| 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/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H |
| Smiles | C1=CC=C(C=C1)C(C2=CC=CC=C2)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112