2-(3-hydroxypropyl)benzene-1,4-diol

C9H12O3 — CID 19362191

IUPAC2-(3-hydroxypropyl)benzene-1,4-diol
SMILESOCCCc1cc(O)ccc1O
InChIInChI=1S/C9H12O3/c10-5-1-2-7-6-8(11)3-4-9(7)12/h3-4,6,10-12H,1-2,5H2
InChIKeyRYBASNPKFUXSHE-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.02
Rot. Bonds3

About 2-(3-hydroxypropyl)benzene-1,4-diol

2-(3-hydroxypropyl)benzene-1,4-diol (PubChem CID 19362191) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)benzene-1,4-diol
PubChem CID19362191
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(3-hydroxypropyl)benzene-1,4-diol
SMILESOCCCc1cc(O)ccc1O
InChIInChI=1S/C9H12O3/c10-5-1-2-7-6-8(11)3-4-9(7)12/h3-4,6,10-12H,1-2,5H2
InChIKeyRYBASNPKFUXSHE-UHFFFAOYSA-N
XLogP1.02
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-(3-hydroxypropyl)benzene-1,4-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

4-bromo-3-(3-hydroxypropyl)phenol
CID 66845048
2-tridecylbenzene-1,4-diol
CID 19033717
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806
3-amino-4-(3-hydroxypropyl)phenol
CID 67360717
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol
CID 122513032
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol
CID 117320433
5-hydroxy-2-(3-hydroxypropyl)benzaldehyde
CID 117278294

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)benzene-1,4-diol?
The IUPAC name of 2-(3-hydroxypropyl)benzene-1,4-diol (CID 19362191) is 2-(3-hydroxypropyl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-hydroxypropyl)benzene-1,4-diol?
The canonical SMILES for 2-(3-hydroxypropyl)benzene-1,4-diol is OCCCc1cc(O)ccc1O.
What is the InChIKey of 2-(3-hydroxypropyl)benzene-1,4-diol?
The InChIKey is RYBASNPKFUXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-5-1-2-7-6-8(11)3-4-9(7)12/h3-4,6,10-12H,1-2,5H2.
What are the key properties of 2-(3-hydroxypropyl)benzene-1,4-diol?
2-(3-hydroxypropyl)benzene-1,4-diol has a molecular weight of 168.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)benzene-1,4-diol is sourced from PubChem (CID 19362191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).