2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine

C23H20ClNO — CID 70971545

IUPAC2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine
SMILESClc1ccc(OCc2ccccc2)c(C2=C(c3ccccn3)CCC2)c1
InChIInChI=1S/C23H20ClNO/c24-18-12-13-23(26-16-17-7-2-1-3-8-17)21(15-18)19-9-6-10-20(19)22-11-4-5-14-25-22/h1-5,7-8,11-15H,6,9-10,16H2
InChIKeyYVZKYDBUSKASHE-UHFFFAOYSA-N
MW361.87 g/mol
LogP6.41
Rot. Bonds5

About 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine

2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine (PubChem CID 70971545) has the molecular formula C23H20ClNO and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine
PubChem CID70971545
Molecular FormulaC23H20ClNO
Molecular Weight361.87 g/mol
Exact Mass361.12
IUPAC Name2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine
SMILESClc1ccc(OCc2ccccc2)c(C2=C(c3ccccn3)CCC2)c1
InChIInChI=1S/C23H20ClNO/c24-18-12-13-23(26-16-17-7-2-1-3-8-17)21(15-18)19-9-6-10-20(19)22-11-4-5-14-25-22/h1-5,7-8,11-15H,6,9-10,16H2
InChIKeyYVZKYDBUSKASHE-UHFFFAOYSA-N
XLogP6.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine
CID 91031962
sodium 6-[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-2-carboxylate
CID 59808916
5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-fluorobenzoic acid
CID 21112963
(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 58887654
6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 162114702
4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
CID 59840785
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413
2-(2,6-difluoro-3-phenylmethoxyphenyl)pyridine
CID 174635964
3-[[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]methyl]benzoic acid
CID 90751599
6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21112867
3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid
CID 11429983
3-[2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-oxopyrrolidin-1-yl]benzoic acid
CID 90836434

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine?
The IUPAC name of 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine (CID 70971545) is 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine.
What is the SMILES notation for 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine?
The canonical SMILES for 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine is Clc1ccc(OCc2ccccc2)c(C2=C(c3ccccn3)CCC2)c1.
What is the InChIKey of 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine?
The InChIKey is YVZKYDBUSKASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO/c24-18-12-13-23(26-16-17-7-2-1-3-8-17)21(15-18)19-9-6-10-20(19)22-11-4-5-14-25-22/h1-5,7-8,11-15H,6,9-10,16H2.
What are the key properties of 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine?
2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine has a molecular weight of 361.87 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine is sourced from PubChem (CID 70971545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).