3-(2-hydroxyphenyl)prop-2-ene-1,1-diol

C9H10O3 — CID 57308836

IUPAC3-(2-hydroxyphenyl)prop-2-ene-1,1-diol
SMILESOc1ccccc1C=CC(O)O
InChIInChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,9-12H
InChIKeyWQWZQZMHINUNBY-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.72
Rot. Bonds2

About 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol

3-(2-hydroxyphenyl)prop-2-ene-1,1-diol (PubChem CID 57308836) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)prop-2-ene-1,1-diol
PubChem CID57308836
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name3-(2-hydroxyphenyl)prop-2-ene-1,1-diol
SMILESOc1ccccc1C=CC(O)O
InChIInChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,9-12H
InChIKeyWQWZQZMHINUNBY-UHFFFAOYSA-N
XLogP0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-3-hydroxy-5-phenylpent-1-enyl]phenol
CID 11097132
3-phenylprop-2-ene-1,1-diol
CID 54432533
2-ethenylphenol
CID 161061609
CID 162316519
CID 162316519
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol
CID 175173281
2-(3-sulfanylprop-1-enyl)phenol
CID 169454568
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
2-penta-1,3-dienylphenol
CID 141162259
CID 67744979
CID 67744979
methane;2-propan-2-yl-6-[(E)-prop-1-enyl]phenol;bis(2-[(E)-prop-1-enyl]phenol)
CID 167541647
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol?
The IUPAC name of 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol (CID 57308836) is 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol.
What is the SMILES notation for 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol?
The canonical SMILES for 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol is Oc1ccccc1C=CC(O)O.
What is the InChIKey of 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol?
The InChIKey is WQWZQZMHINUNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,9-12H.
What are the key properties of 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol?
3-(2-hydroxyphenyl)prop-2-ene-1,1-diol has a molecular weight of 166.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)prop-2-ene-1,1-diol is sourced from PubChem (CID 57308836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).