2-(3-methoxyphenyl)benzene-1,4-diol

C13H12O3 — CID 83534427

IUPAC2-(3-methoxyphenyl)benzene-1,4-diol
SMILESCOc1cccc(-c2cc(O)ccc2O)c1
InChIInChI=1S/C13H12O3/c1-16-11-4-2-3-9(7-11)12-8-10(14)5-6-13(12)15/h2-8,14-15H,1H3
InChIKeyPJBAFFOACKVHIM-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.77
Rot. Bonds2

About 2-(3-methoxyphenyl)benzene-1,4-diol

2-(3-methoxyphenyl)benzene-1,4-diol (PubChem CID 83534427) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)benzene-1,4-diol
PubChem CID83534427
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-(3-methoxyphenyl)benzene-1,4-diol
SMILESCOc1cccc(-c2cc(O)ccc2O)c1
InChIInChI=1S/C13H12O3/c1-16-11-4-2-3-9(7-11)12-8-10(14)5-6-13(12)15/h2-8,14-15H,1H3
InChIKeyPJBAFFOACKVHIM-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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

2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
4-methoxy-2-(3-propan-2-yloxyphenyl)phenol
CID 104707355
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
5-amino-2-(3-methoxyphenyl)phenol
CID 12067776
5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
CID 22023330
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
CID 71221540

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)benzene-1,4-diol?
The IUPAC name of 2-(3-methoxyphenyl)benzene-1,4-diol (CID 83534427) is 2-(3-methoxyphenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-methoxyphenyl)benzene-1,4-diol?
The canonical SMILES for 2-(3-methoxyphenyl)benzene-1,4-diol is COc1cccc(-c2cc(O)ccc2O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)benzene-1,4-diol?
The InChIKey is PJBAFFOACKVHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-16-11-4-2-3-9(7-11)12-8-10(14)5-6-13(12)15/h2-8,14-15H,1H3.
What are the key properties of 2-(3-methoxyphenyl)benzene-1,4-diol?
2-(3-methoxyphenyl)benzene-1,4-diol has a molecular weight of 216.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)benzene-1,4-diol is sourced from PubChem (CID 83534427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).