4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine

C27H31NO3 — CID 54365893

IUPAC4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine
SMILESCOCc1ccc(C(Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C27H31NO3/c1-29-19-21-7-9-22(10-8-21)25(17-20-13-15-28-16-14-20)23-11-12-26(30-2)27(18-23)31-24-5-3-4-6-24/h7-16,18,24-25H,3-6,17,19H2,1-2H3
InChIKeyUPTFZDTUGHVEHC-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.93
Rot. Bonds9

About 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine

4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine (PubChem CID 54365893) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine
PubChem CID54365893
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine
SMILESCOCc1ccc(C(Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C27H31NO3/c1-29-19-21-7-9-22(10-8-21)25(17-20-13-15-28-16-14-20)23-11-12-26(30-2)27(18-23)31-24-5-3-4-6-24/h7-16,18,24-25H,3-6,17,19H2,1-2H3
InChIKeyUPTFZDTUGHVEHC-UHFFFAOYSA-N
XLogP5.93
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol
CID 70066578
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide
CID 140672553
N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide
CID 19707450
1-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-ethylurea
CID 73086463
N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 21360946
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
CID 67654163
methyl 4-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]benzoate
CID 10874102
1-[3-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 59094641
2-cyano-N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-N'-methylethanimidamide
CID 91350902
1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea
CID 56989314
2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene
CID 57236952
4-[2-(4-cyclohexyloxy-3-methoxyphenyl)-2-phenylethyl]pyridine;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 159673916

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine?
The IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine (CID 54365893) is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine?
The canonical SMILES for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine is COCc1ccc(C(Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1.
What is the InChIKey of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine?
The InChIKey is UPTFZDTUGHVEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-29-19-21-7-9-22(10-8-21)25(17-20-13-15-28-16-14-20)23-11-12-26(30-2)27(18-23)31-24-5-3-4-6-24/h7-16,18,24-25H,3-6,17,19H2,1-2H3.
What are the key properties of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine?
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine has a molecular weight of 417.55 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 54365893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).