2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine

C23H19Cl2NO — CID 91031962

IUPAC2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine
SMILESClc1ccc(COc2ccc(Cl)cc2C2=C(c3ccccn3)CCC2)cc1
InChIInChI=1S/C23H19Cl2NO/c24-17-9-7-16(8-10-17)15-27-23-12-11-18(25)14-21(23)19-4-3-5-20(19)22-6-1-2-13-26-22/h1-2,6-14H,3-5,15H2
InChIKeyYZPPPSSMYGCTLM-UHFFFAOYSA-N
MW396.32 g/mol
LogP7.06
Rot. Bonds5

About 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine

2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine (PubChem CID 91031962) has the molecular formula C23H19Cl2NO and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine
PubChem CID91031962
Molecular FormulaC23H19Cl2NO
Molecular Weight396.32 g/mol
Exact Mass395.08
IUPAC Name2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine
SMILESClc1ccc(COc2ccc(Cl)cc2C2=C(c3ccccn3)CCC2)cc1
InChIInChI=1S/C23H19Cl2NO/c24-17-9-7-16(8-10-17)15-27-23-12-11-18(25)14-21(23)19-4-3-5-20(19)22-6-1-2-13-26-22/h1-2,6-14H,3-5,15H2
InChIKeyYZPPPSSMYGCTLM-UHFFFAOYSA-N
XLogP7.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine
CID 70971545
(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 58887654
sodium 6-[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-2-carboxylate
CID 59808916
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
5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-fluorobenzoic acid
CID 21112963
6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid
CID 11420125
6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21112867
3-[[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]methyl]benzoic acid
CID 90751599
6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid
CID 68931165
4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
CID 59840785
6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid
CID 11362994
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine?
The IUPAC name of 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine (CID 91031962) is 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine.
What is the SMILES notation for 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine?
The canonical SMILES for 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine is Clc1ccc(COc2ccc(Cl)cc2C2=C(c3ccccn3)CCC2)cc1.
What is the InChIKey of 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine?
The InChIKey is YZPPPSSMYGCTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO/c24-17-9-7-16(8-10-17)15-27-23-12-11-18(25)14-21(23)19-4-3-5-20(19)22-6-1-2-13-26-22/h1-2,6-14H,3-5,15H2.
What are the key properties of 2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine?
2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine has a molecular weight of 396.32 g/mol, XLogP of 7.06, 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-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine is sourced from PubChem (CID 91031962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).