5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol

C13H12O3 — CID 101299721

IUPAC5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
SMILESCc1c(O)cc(O)cc1-c1ccc(O)cc1
InChIInChI=1S/C13H12O3/c1-8-12(6-11(15)7-13(8)16)9-2-4-10(14)5-3-9/h2-7,14-16H,1H3
InChIKeyKTXKWTCAGRDCNP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.78
Rot. Bonds1

About 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol

5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol (PubChem CID 101299721) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
PubChem CID101299721
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
SMILESCc1c(O)cc(O)cc1-c1ccc(O)cc1
InChIInChI=1S/C13H12O3/c1-8-12(6-11(15)7-13(8)16)9-2-4-10(14)5-3-9/h2-7,14-16H,1H3
InChIKeyKTXKWTCAGRDCNP-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)benzene-1,4-diol
CID 15793198
4-[4-(4-hydroxyphenyl)phenyl]-2,3,6-trimethylphenol
CID 22508138
5-(4-hydroxyphenyl)-2,4-dimethylphenol
CID 101298958
3-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
CID 101299322
2-[4-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
CID 71015748
3-(4-hydroxyphenyl)-2,4,5-trimethylphenol
CID 101299207
2-(4-hydroxyphenyl)-3-methylbenzene-1,4-diol
CID 101299701
2-(3-hydroxy-2-methylphenyl)benzene-1,4-diol
CID 101299744
3,4-diethyl-5-(4-hydroxyphenyl)phenol
CID 101302689
4-(4-tert-butylphenyl)benzene-1,3-diol
CID 57237092
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
CID 101299580

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol?
The IUPAC name of 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol (CID 101299721) is 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol.
What is the SMILES notation for 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol?
The canonical SMILES for 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol is Cc1c(O)cc(O)cc1-c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol?
The InChIKey is KTXKWTCAGRDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-12(6-11(15)7-13(8)16)9-2-4-10(14)5-3-9/h2-7,14-16H,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol?
5-(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 5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol is sourced from PubChem (CID 101299721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).