2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol

C13H12O3 — CID 101299706

IUPAC2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
SMILESCc1ccc(O)c(-c2ccc(O)cc2)c1O
InChIInChI=1S/C13H12O3/c1-8-2-7-11(15)12(13(8)16)9-3-5-10(14)6-4-9/h2-7,14-16H,1H3
InChIKeyLLKSKDQVUYXUPX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.78
Rot. Bonds1

About 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol

2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol (PubChem CID 101299706) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
PubChem CID101299706
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
SMILESCc1ccc(O)c(-c2ccc(O)cc2)c1O
InChIInChI=1S/C13H12O3/c1-8-2-7-11(15)12(13(8)16)9-3-5-10(14)6-4-9/h2-7,14-16H,1H3
InChIKeyLLKSKDQVUYXUPX-UHFFFAOYSA-N
XLogP2.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-3-methylbenzene-1,4-diol
CID 101299701
4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
CID 101299442
2-(2-hydroxy-3,6-dimethylphenyl)benzene-1,4-diol
CID 101299410
2-(4-chlorophenyl)-3,6-dimethylphenol
CID 102112254
3-(4-hydroxyphenyl)-2,4,5-trimethylphenol
CID 101299207
4-(3-amino-2-chloro-6-methylphenyl)phenol
CID 174846171
5-(4-hydroxyphenyl)-2,4-dimethylphenol
CID 101298958
3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde
CID 59582482
2,5-dimethylphenol;4-methylphenol
CID 67649093
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-methylphenol
CID 70549076
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol?
The IUPAC name of 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol (CID 101299706) is 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol is Cc1ccc(O)c(-c2ccc(O)cc2)c1O.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol?
The InChIKey is LLKSKDQVUYXUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-2-7-11(15)12(13(8)16)9-3-5-10(14)6-4-9/h2-7,14-16H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol?
2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol has a molecular weight of 216.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol is sourced from PubChem (CID 101299706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).