4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol

C14H14O5 — CID 144664585

IUPAC4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol
SMILESOCC(c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C14H14O5/c15-7-12(10-3-1-8(16)5-13(10)18)11-4-2-9(17)6-14(11)19/h1-6,12,15-19H,7H2
InChIKeyFZLJAGPYRNXXJC-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.63
Rot. Bonds3

About 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol

4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol (PubChem CID 144664585) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol
PubChem CID144664585
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol
SMILESOCC(c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C14H14O5/c15-7-12(10-3-1-8(16)5-13(10)18)11-4-2-9(17)6-14(11)19/h1-6,12,15-19H,7H2
InChIKeyFZLJAGPYRNXXJC-UHFFFAOYSA-N
XLogP1.63
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-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-[2-(2,4-dihydroxyphenyl)-1,2-bis(sulfanyl)ethyl]benzene-1,3-diol
CID 23187827
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250
4-(1-amino-2-fluoroethyl)benzene-1,3-diol
CID 130061010
4-[(1S)-1-aminopropyl]benzene-1,3-diol
CID 55255477
4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
CID 25177607
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
4-[(1S)-1-amino-2-phenylethyl]benzene-1,3-diol
CID 165348962
4-[(1S)-1-aminopropyl]benzene-1,3-diol;hydrochloride
CID 171219642
4-[chloro(phenyl)methyl]benzene-1,3-diol
CID 66729340
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
4-(1-phenylethyl)benzene-1,3-diol
CID 11171903

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol (CID 144664585) is 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol is OCC(c1ccc(O)cc1O)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol?
The InChIKey is FZLJAGPYRNXXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c15-7-12(10-3-1-8(16)5-13(10)18)11-4-2-9(17)6-14(11)19/h1-6,12,15-19H,7H2.
What are the key properties of 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol?
4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol has a molecular weight of 262.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol is sourced from PubChem (CID 144664585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).