2-methyl-3-phenoxybenzene-1,4-diol

C13H12O3 — CID 22159501

IUPAC2-methyl-3-phenoxybenzene-1,4-diol
SMILESCc1c(O)ccc(O)c1Oc1ccccc1
InChIInChI=1S/C13H12O3/c1-9-11(14)7-8-12(15)13(9)16-10-5-3-2-4-6-10/h2-8,14-15H,1H3
InChIKeyLMBBMLBSJSKCPT-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.20
Rot. Bonds2

About 2-methyl-3-phenoxybenzene-1,4-diol

2-methyl-3-phenoxybenzene-1,4-diol (PubChem CID 22159501) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methyl-3-phenoxybenzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-3-phenoxybenzene-1,4-diol
PubChem CID22159501
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-methyl-3-phenoxybenzene-1,4-diol
SMILESCc1c(O)ccc(O)c1Oc1ccccc1
InChIInChI=1S/C13H12O3/c1-9-11(14)7-8-12(15)13(9)16-10-5-3-2-4-6-10/h2-8,14-15H,1H3
InChIKeyLMBBMLBSJSKCPT-UHFFFAOYSA-N
XLogP3.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-phenoxynaphthalen-2-ol
CID 5271325
3-ethyl-2-phenoxyphenol
CID 66865882
2-methyl-4-phenoxyphenol
CID 23089676
2,3-diphenoxynaphthalene-1,4-diol
CID 19886586
3-hydroxy-2-phenoxybenzoic acid
CID 53406644
2-(2-hydroxyphenoxy)-3,4-dimethylphenol
CID 175742174
4-butyl-3-pentyl-2-phenoxyphenol
CID 66865510
3,4-di(nonyl)-2-phenoxyphenol
CID 66867862
4-hexyl-3-nonyl-2-phenoxyphenol
CID 66865889
4-butyl-3-nonyl-2-phenoxyphenol
CID 66867200
3-methoxy-2-methyl-4-phenylphenol
CID 45097393
2-amino-4-bromo-3-phenoxyphenol
CID 118093778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenoxybenzene-1,4-diol?
The IUPAC name of 2-methyl-3-phenoxybenzene-1,4-diol (CID 22159501) is 2-methyl-3-phenoxybenzene-1,4-diol.
What is the SMILES notation for 2-methyl-3-phenoxybenzene-1,4-diol?
The canonical SMILES for 2-methyl-3-phenoxybenzene-1,4-diol is Cc1c(O)ccc(O)c1Oc1ccccc1.
What is the InChIKey of 2-methyl-3-phenoxybenzene-1,4-diol?
The InChIKey is LMBBMLBSJSKCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-11(14)7-8-12(15)13(9)16-10-5-3-2-4-6-10/h2-8,14-15H,1H3.
What are the key properties of 2-methyl-3-phenoxybenzene-1,4-diol?
2-methyl-3-phenoxybenzene-1,4-diol has a molecular weight of 216.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenoxybenzene-1,4-diol is sourced from PubChem (CID 22159501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).