2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol

C14H14O3 — CID 101299431

IUPAC2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol
SMILESCc1cc(O)c(C)c(-c2c(O)cccc2O)c1
InChIInChI=1S/C14H14O3/c1-8-6-10(9(2)13(17)7-8)14-11(15)4-3-5-12(14)16/h3-7,15-17H,1-2H3
InChIKeyGTHHJVISMRTKPO-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.09
Rot. Bonds1

About 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol

2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol (PubChem CID 101299431) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol
PubChem CID101299431
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol
SMILESCc1cc(O)c(C)c(-c2c(O)cccc2O)c1
InChIInChI=1S/C14H14O3/c1-8-6-10(9(2)13(17)7-8)14-11(15)4-3-5-12(14)16/h3-7,15-17H,1-2H3
InChIKeyGTHHJVISMRTKPO-UHFFFAOYSA-N
XLogP3.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-3-(3-methylphenyl)phenol
CID 101298780
2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
CID 101299108
2,6-dimethylphenol;2,3,5-trimethylphenol
CID 69435633
2-methylbenzene-1,3-diol
CID 139200813
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
2-(2-hydroxy-4-methylphenyl)-3,4-dimethylphenol
CID 101299239
2,4,5-trimethyl-6-(2,3,5-trimethylphenyl)benzene-1,3-diol
CID 151768924
2,3-bis(4-methylphenyl)phenol
CID 175749747
2-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299632
2-(3-hydroxy-5-methylphenyl)-3-methylphenol
CID 101298988
2-(2-hydroxy-6-methylphenyl)-4-methylbenzaldehyde
CID 139758030
2-(3-hydroxy-2-methylphenyl)benzene-1,4-diol
CID 101299744

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol?
The IUPAC name of 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol (CID 101299431) is 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol.
What is the SMILES notation for 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol?
The canonical SMILES for 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol is Cc1cc(O)c(C)c(-c2c(O)cccc2O)c1.
What is the InChIKey of 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol?
The InChIKey is GTHHJVISMRTKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-6-10(9(2)13(17)7-8)14-11(15)4-3-5-12(14)16/h3-7,15-17H,1-2H3.
What are the key properties of 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol?
2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol has a molecular weight of 230.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol is sourced from PubChem (CID 101299431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).