2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid

C22H21NO2 — CID 130386903

IUPAC2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CCc1ccc(-c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c24-22(25)21-15-19(21)11-8-16-6-9-17(10-7-16)18-4-3-5-20(14-18)23-12-1-2-13-23/h1-7,9-10,12-14,19,21H,8,11,15H2,(H,24,25)
InChIKeyJQANFUNVXQFCOD-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.80
Rot. Bonds6

About 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid

2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 130386903) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
PubChem CID130386903
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CCc1ccc(-c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c24-22(25)21-15-19(21)11-8-16-6-9-17(10-7-16)18-4-3-5-20(14-18)23-12-1-2-13-23/h1-7,9-10,12-14,19,21H,8,11,15H2,(H,24,25)
InChIKeyJQANFUNVXQFCOD-UHFFFAOYSA-N
XLogP4.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
2-[2-(4-aminophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112718089
trans-(1R,2S)-2-[2-(4-iodophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 130404266
2-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112717887
2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253
2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83931121
trans-(1R,2S)-2-[2-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130387004
2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83930573
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 57367804
cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993212
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid (CID 130386903) is 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CCc1ccc(-c2cccc(-n3cccc3)c2)cc1.
What is the InChIKey of 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is JQANFUNVXQFCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)21-15-19(21)11-8-16-6-9-17(10-7-16)18-4-3-5-20(14-18)23-12-1-2-13-23/h1-7,9-10,12-14,19,21H,8,11,15H2,(H,24,25).
What are the key properties of 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130386903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).