5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid

C18H14ClNO3 — CID 100951026

IUPAC5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2C(=O)O)cc1
InChIInChI=1S/C18H14ClNO3/c1-23-14-8-4-11(5-9-14)15-10-16(20-17(15)18(21)22)12-2-6-13(19)7-3-12/h2-10,20H,1H3,(H,21,22)
InChIKeyNGIWRIUWSOAALC-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.71
Rot. Bonds4

About 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid

5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 100951026) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID100951026
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2C(=O)O)cc1
InChIInChI=1S/C18H14ClNO3/c1-23-14-8-4-11(5-9-14)15-10-16(20-17(15)18(21)22)12-2-6-13(19)7-3-12/h2-10,20H,1H3,(H,21,22)
InChIKeyNGIWRIUWSOAALC-UHFFFAOYSA-N
XLogP4.71
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
5-chloro-3-(4-methoxyphenyl)-2H-isoindole-1-carboxylic acid
CID 22764370
3-(4-butoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid
CID 70836257
methyl 8-[3-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]-8-oxooctanoate
CID 157267999
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82082007
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 175876328
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
methyl 3-[3-(hydroxymethyl)-5-methoxyphenyl]-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-2-carboxylate
CID 58183325
bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
CID 153465332

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid (CID 100951026) is 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid is COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2C(=O)O)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is NGIWRIUWSOAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-23-14-8-4-11(5-9-14)15-10-16(20-17(15)18(21)22)12-2-6-13(19)7-3-12/h2-10,20H,1H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid?
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 327.77 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 100951026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).