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3-(4-Hydroxyphenyl)propan-1-ol

PubChem CID: 82452

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Compound Synonyms 3-(4-Hydroxyphenyl)-1-propanol, 10210-17-0, 4-(3-Hydroxypropyl)phenol, Benzenepropanol, 4-hydroxy-, 3-(4-Hydroxyphenyl)propan-1-ol, Dihydro-p-coumaryl alcohol, 4-hydroxybenzenepropanol, 3-(p-Hydroxyphenyl)-1-propanol, HPP cpd, MFCD00002953, 3-(4-hydroxyphenyl)propanol, 4-(3-hydroxy-propyl)-phenol, 1DJM7P148S, AI3-12108, 1-(4-Hydroxyphenyl)-3-propanol, 1-Propanol, 3-(p-hydroxyphenyl)-, EINECS 233-511-4, DTXSID80144638, 3-(P-HYDROXYPHENYL)PROPYL ALCOHOL, Dihydro-p-coumaryl alcohol, 3-(p-Hydroxyphenyl)propyl alcohol, UNII-1DJM7P148S, 4-g-Hydroxypropylphenol, 4-Hydroxy-Benzenepropanol, p-Hydroxyphenyl-3-propanol, Dihydro-p-coumaroyl alcohol, 3-(p-Hydroxyphenyl)propanol, SCHEMBL274830, 3-(4-Hydroxyphenyl)-propanol, 4-Hydroxybenzenepropanol, 9CI, 3-(4hydroxyphenyl)-1-propanol, DTXCID6067129, 3-(p-Hydroxyphenyl)propan-1-ol, CHEBI:179258, HY-N1753, s5835, AKOS005217781, CS-W008850, FD10610, SB30222, 3-(4-Hydroxyphenyl)-1-propanol, 99%, DS-11902, FH146214, SY101960, NS00023110, EN300-101014, Q27252283, Z1255485203, 233-511-4
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Deep Smiles OCCCcccccc6))O
Heavy Atom Count 11.0
Classyfire Class Phenols
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass 1-hydroxy-2-unsubstituted benzenoids
Isotope Atom Count 0.0
Molecular Complexity 95.7
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-(3-hydroxypropyl)phenol
Prediction Hob 1.0
Class Phenols
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 1.3
Superclass Benzenoids
Subclass 1-hydroxy-2-unsubstituted benzenoids
Gsk 4 400 Rule True
Molecular Formula C9H12O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 1.0
Inchi Key NJCVPQRHRKYSAZ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.3333333333333333
Logs -0.683
Rotatable Bond Count 3.0
State Solid
Logd 1.152
Synonyms 3-(4-Hydroxyphenyl)propan-1-ol, 3-(p-Hydroxyphenyl)-1-propanol, 4-(3-Hydroxypropyl)phenol, 4-g-Hydroxypropylphenol, 4-Hydroxy-benzenepropanol, 4-Hydroxybenzenepropanol, 9ci, Dihydro-p-coumaroyl alcohol, HPP CPD, 3-(4-Hydroxyphenyl)propanol, 3-(4-hydroxyphenyl)-1-propanol
Esol Class Very soluble
Functional Groups CO, cO
Compound Name 3-(4-Hydroxyphenyl)propan-1-ol
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 152.084
Formal Charge 0.0
Monoisotopic Mass 152.084
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 152.19
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
Esol -1.7767329636363633
Inchi InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
Smiles C1=CC(=CC=C1CCCO)O
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent 1-hydroxy-2-unsubstituted benzenoids