3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol

C12H12ClNO3 — CID 91392778

IUPAC3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol
SMILESCOc1cc(Cl)ccc1-c1c(O)[nH]c(C)c1O
InChIInChI=1S/C12H12ClNO3/c1-6-11(15)10(12(16)14-6)8-4-3-7(13)5-9(8)17-2/h3-5,14-16H,1-2H3
InChIKeyPJFANELIZBOWEK-UHFFFAOYSA-N
MW253.68 g/mol
LogP3.06
Rot. Bonds2

About 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol

3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol (PubChem CID 91392778) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol.

Molecular Properties

Compound Name3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol
PubChem CID91392778
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol
SMILESCOc1cc(Cl)ccc1-c1c(O)[nH]c(C)c1O
InChIInChI=1S/C12H12ClNO3/c1-6-11(15)10(12(16)14-6)8-4-3-7(13)5-9(8)17-2/h3-5,14-16H,1-2H3
InChIKeyPJFANELIZBOWEK-UHFFFAOYSA-N
XLogP3.06
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
3-(2-chloro-4,5-dimethylphenyl)-5-methyl-1H-pyrrole-2,4-diol
CID 54292038
4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol
CID 67255854
3-(4-chloro-2-methoxyphenyl)-5-methylphenol
CID 53219061
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol?
The IUPAC name of 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol (CID 91392778) is 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol.
What is the SMILES notation for 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol?
The canonical SMILES for 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol is COc1cc(Cl)ccc1-c1c(O)[nH]c(C)c1O.
What is the InChIKey of 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol?
The InChIKey is PJFANELIZBOWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-6-11(15)10(12(16)14-6)8-4-3-7(13)5-9(8)17-2/h3-5,14-16H,1-2H3.
What are the key properties of 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol?
3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol has a molecular weight of 253.68 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol is sourced from PubChem (CID 91392778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).