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

C13H11ClO3 — CID 175727272

IUPAC4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
SMILESCOc1cccc(-c2c(O)ccc(Cl)c2O)c1
InChIInChI=1S/C13H11ClO3/c1-17-9-4-2-3-8(7-9)12-11(15)6-5-10(14)13(12)16/h2-7,15-16H,1H3
InChIKeyWSINACNFYWXOMO-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.43
Rot. Bonds2

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

4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol (PubChem CID 175727272) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
PubChem CID175727272
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
SMILESCOc1cccc(-c2c(O)ccc(Cl)c2O)c1
InChIInChI=1S/C13H11ClO3/c1-17-9-4-2-3-8(7-9)12-11(15)6-5-10(14)13(12)16/h2-7,15-16H,1H3
InChIKeyWSINACNFYWXOMO-UHFFFAOYSA-N
XLogP3.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene
CID 10790094
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
3-chloro-2-(4-methoxyphenyl)phenol
CID 101453528
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol?
The IUPAC name of 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol (CID 175727272) is 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol?
The canonical SMILES for 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol is COc1cccc(-c2c(O)ccc(Cl)c2O)c1.
What is the InChIKey of 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol?
The InChIKey is WSINACNFYWXOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-17-9-4-2-3-8(7-9)12-11(15)6-5-10(14)13(12)16/h2-7,15-16H,1H3.
What are the key properties of 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol?
4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol has a molecular weight of 250.68 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 175727272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).