4-[2-Hydroxy-3-(4-hydroxyphenyl)propyl]phenol
PubChem CID: 185124
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| Compound Synonyms | 91793-46-3, 4-[2-hydroxy-3-(4-hydroxyphenyl)propyl]phenol, 2-Propanol, 1,3-bis(4-hydroxyphenyl)-, Propterol, 4-(2-Hydroxy-3-(4-hydroxyphenyl)propyl)phenol, 1,3-bis(4-hydroxyphenyl)-2-propanol, 1,3-Bis(4-hydroxyphenyl)propan-2-ol, SCHEMBL7166607, DTXSID50238694 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCCC2CCCCC2)CC1 |
| Np Classifier Class | Linear diarylheptanoids |
| Deep Smiles | OCCcccccc6))O))))))Ccccccc6))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Linear 1,3-diarylpropanoids |
| Scaffold Graph Node Level | C1CCC(CCCC2CCCCC2)CC1 |
| Classyfire Subclass | Cinnamylphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-hydroxy-3-(4-hydroxyphenyl)propyl]phenol |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H16O3 |
| Scaffold Graph Node Bond Level | c1ccc(CCCc2ccccc2)cc1 |
| Inchi Key | CJJQLHLEWQGHMJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | propterol |
| Esol Class | Soluble |
| Functional Groups | CO, cO |
| Compound Name | 4-[2-Hydroxy-3-(4-hydroxyphenyl)propyl]phenol |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| 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/C15H16O3/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8,15-18H,9-10H2 |
| Smiles | C1=CC(=CC=C1CC(CC2=CC=C(C=C2)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Diarylheptanoids |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Marsupium (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172363178; ISBN:9788185042114; The Ayurvedic Pharmacopoeia of India Part-1 Volume-9