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

C13H12O3 — CID 101299684

IUPAC4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(-c2ccccc2O)c1O
InChIInChI=1S/C13H12O3/c1-8-11(14)7-6-10(13(8)16)9-4-2-3-5-12(9)15/h2-7,14-16H,1H3
InChIKeyCYANVAKPXQHLTJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.78
Rot. Bonds1

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

4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol (PubChem CID 101299684) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol
PubChem CID101299684
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(-c2ccccc2O)c1O
InChIInChI=1S/C13H12O3/c1-8-11(14)7-6-10(13(8)16)9-4-2-3-5-12(9)15/h2-7,14-16H,1H3
InChIKeyCYANVAKPXQHLTJ-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

3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol
CID 71046395
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
2-(3-chloro-2,4-dimethylphenyl)phenol
CID 157205904
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
2,3-dimethyl-4-phenylphenol
CID 57091246
2-(3-hydroxy-2-methylphenyl)benzene-1,4-diol
CID 101299744
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
CID 87697352
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
2-methylbenzene-1,3-diol
CID 139200813
3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
CID 59253869
ethane;2-(2-methylphenyl)phenol;propane
CID 142042568

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol?
The IUPAC name of 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol (CID 101299684) is 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol is Cc1c(O)ccc(-c2ccccc2O)c1O.
What is the InChIKey of 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol?
The InChIKey is CYANVAKPXQHLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-11(14)7-6-10(13(8)16)9-4-2-3-5-12(9)15/h2-7,14-16H,1H3.
What are the key properties of 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol?
4-(2-hydroxyphenyl)-2-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 4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 101299684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).