3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid

C27H29NO4 — CID 67654163

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
SMILESCOc1ccc(C(Cc2ccncc2)C(C(=O)O)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C27H29NO4/c1-31-24-12-11-21(18-25(24)32-22-9-5-6-10-22)23(17-19-13-15-28-16-14-19)26(27(29)30)20-7-3-2-4-8-20/h2-4,7-8,11-16,18,22-23,26H,5-6,9-10,17H2,1H3,(H,29,30)
InChIKeyLACXIOIJTZJKAX-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.61
Rot. Bonds9

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid

3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid (PubChem CID 67654163) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
PubChem CID67654163
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
SMILESCOc1ccc(C(Cc2ccncc2)C(C(=O)O)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C27H29NO4/c1-31-24-12-11-21(18-25(24)32-22-9-5-6-10-22)23(17-19-13-15-28-16-14-19)26(27(29)30)20-7-3-2-4-8-20/h2-4,7-8,11-16,18,22-23,26H,5-6,9-10,17H2,1H3,(H,29,30)
InChIKeyLACXIOIJTZJKAX-UHFFFAOYSA-N
XLogP5.61
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-ethylurea
CID 73086463
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol
CID 70066578
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine
CID 54365893
N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide
CID 19707450
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide
CID 140672553
N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 21360946
2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde
CID 102162287
1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea
CID 56989314
1-[3-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 59094641
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
methyl 4-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]benzoate
CID 10874102
2-cyano-N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-N'-methylethanimidamide
CID 91350902

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid (CID 67654163) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid is COc1ccc(C(Cc2ccncc2)C(C(=O)O)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid?
The InChIKey is LACXIOIJTZJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-31-24-12-11-21(18-25(24)32-22-9-5-6-10-22)23(17-19-13-15-28-16-14-19)26(27(29)30)20-7-3-2-4-8-20/h2-4,7-8,11-16,18,22-23,26H,5-6,9-10,17H2,1H3,(H,29,30).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid?
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid has a molecular weight of 431.53 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 67654163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).