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

C11H10ClNO3 — CID 54573091

IUPAC3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol
SMILESCOc1ccc(-n2c(O)cc(Cl)c2O)cc1
InChIInChI=1S/C11H10ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-6,14-15H,1H3
InChIKeyZYRSMFRWNSQTAX-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.55
Rot. Bonds2

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

3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol (PubChem CID 54573091) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol
PubChem CID54573091
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol
SMILESCOc1ccc(-n2c(O)cc(Cl)c2O)cc1
InChIInChI=1S/C11H10ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-6,14-15H,1H3
InChIKeyZYRSMFRWNSQTAX-UHFFFAOYSA-N
XLogP2.55
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrole-2,5-diol
CID 91899191
2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole
CID 69246591
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 142961507
6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
CID 824695
dimethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrrole-2,3-dicarboxylate
CID 139216437
3-hydroxy-1-(4-methoxyphenyl)quinolin-2-one
CID 140970646
4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
CID 139230707
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
5-[(4-chloro-3-methoxyphenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 137070433
3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-(4-methoxyphenyl)pyrrole-2,5-diol
CID 91899110
3-chloro-4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63383869

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol?
The IUPAC name of 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol (CID 54573091) is 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol.
What is the SMILES notation for 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol?
The canonical SMILES for 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol is COc1ccc(-n2c(O)cc(Cl)c2O)cc1.
What is the InChIKey of 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol?
The InChIKey is ZYRSMFRWNSQTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-6,14-15H,1H3.
What are the key properties of 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol?
3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol has a molecular weight of 239.66 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol is sourced from PubChem (CID 54573091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).