[4-(hydroxymethyl)phenyl]methanediol

C8H10O3 — CID 54533756

IUPAC[4-(hydroxymethyl)phenyl]methanediol
SMILESOCc1ccc(C(O)O)cc1
InChIInChI=1S/C8H10O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8-11H,5H2
InChIKeyYYJCPPYPBLMKOZ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.16
Rot. Bonds2

About [4-(hydroxymethyl)phenyl]methanediol

[4-(hydroxymethyl)phenyl]methanediol (PubChem CID 54533756) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]methanediol.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]methanediol
PubChem CID54533756
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name[4-(hydroxymethyl)phenyl]methanediol
SMILESOCc1ccc(C(O)O)cc1
InChIInChI=1S/C8H10O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8-11H,5H2
InChIKeyYYJCPPYPBLMKOZ-UHFFFAOYSA-N
XLogP0.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.16
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 [4-(hydroxymethyl)phenyl]methanediol 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

(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 21425202
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
[4-(2-aminopropyl)phenyl]methanediol
CID 77321990
[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
CID 115020728
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
CID 66510878
[4-(diethoxymethyl)phenyl]methanol
CID 11063705
1-[4-(hydroxymethyl)phenyl]-2,2-dimethylbut-3-en-1-ol
CID 11344770
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
[4-(1-aminobutyl)phenyl]methanol
CID 55282733
2-[4-(hydroxymethyl)phenyl]-3-oxopropanoic acid
CID 54207063
[4-(2,5-dimethylhexan-3-yl)phenyl]methanol
CID 58807001

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]methanediol?
The IUPAC name of [4-(hydroxymethyl)phenyl]methanediol (CID 54533756) is [4-(hydroxymethyl)phenyl]methanediol.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]methanediol?
The canonical SMILES for [4-(hydroxymethyl)phenyl]methanediol is OCc1ccc(C(O)O)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]methanediol?
The InChIKey is YYJCPPYPBLMKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8-11H,5H2.
What are the key properties of [4-(hydroxymethyl)phenyl]methanediol?
[4-(hydroxymethyl)phenyl]methanediol has a molecular weight of 154.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]methanediol is sourced from PubChem (CID 54533756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).