5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid

C26H23Cl2NO3 — CID 11225137

IUPAC5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
SMILESCCc1ncc(C2=C(c3cc(OCc4ccc(Cl)cc4)ccc3Cl)CCC2)cc1C(=O)O
InChIInChI=1S/C26H23Cl2NO3/c1-2-25-23(26(30)31)12-17(14-29-25)20-4-3-5-21(20)22-13-19(10-11-24(22)28)32-15-16-6-8-18(27)9-7-16/h6-14H,2-5,15H2,1H3,(H,30,31)
InChIKeyMIBLDVVJLOABJI-UHFFFAOYSA-N
MW468.38 g/mol
LogP7.32
Rot. Bonds7

About 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid

5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid (PubChem CID 11225137) has the molecular formula C26H23Cl2NO3 and a molecular weight of 468.38 g/mol. Its IUPAC name is 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
PubChem CID11225137
Molecular FormulaC26H23Cl2NO3
Molecular Weight468.38 g/mol
Exact Mass467.11
IUPAC Name5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
SMILESCCc1ncc(C2=C(c3cc(OCc4ccc(Cl)cc4)ccc3Cl)CCC2)cc1C(=O)O
InChIInChI=1S/C26H23Cl2NO3/c1-2-25-23(26(30)31)12-17(14-29-25)20-4-3-5-21(20)22-13-19(10-11-24(22)28)32-15-16-6-8-18(27)9-7-16/h6-14H,2-5,15H2,1H3,(H,30,31)
InChIKeyMIBLDVVJLOABJI-UHFFFAOYSA-N
XLogP7.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
CID 11488228
5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-fluorobenzoic acid
CID 21112963
5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid
CID 11386269
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
CID 106500475
5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141216465
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
5-[(4-chlorophenyl)methoxy]-2-nitrobenzoic acid
CID 65125040
2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
5-[2-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
CID 10288835
2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine
CID 105350803

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid (CID 11225137) is 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid is CCc1ncc(C2=C(c3cc(OCc4ccc(Cl)cc4)ccc3Cl)CCC2)cc1C(=O)O.
What is the InChIKey of 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid?
The InChIKey is MIBLDVVJLOABJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2NO3/c1-2-25-23(26(30)31)12-17(14-29-25)20-4-3-5-21(20)22-13-19(10-11-24(22)28)32-15-16-6-8-18(27)9-7-16/h6-14H,2-5,15H2,1H3,(H,30,31).
What are the key properties of 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid?
5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid has a molecular weight of 468.38 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-chloro-5-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 11225137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).