2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol

C27H31NO3 — CID 70066578

IUPAC2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol
SMILESCOc1ccc([C@H](Cc2ccncc2)c2ccc(CCO)cc2)cc1OC1CCCC1
InChIInChI=1S/C27H31NO3/c1-30-26-11-10-23(19-27(26)31-24-4-2-3-5-24)25(18-21-12-15-28-16-13-21)22-8-6-20(7-9-22)14-17-29/h6-13,15-16,19,24-25,29H,2-5,14,17-18H2,1H3/t25-/m1/s1
InChIKeyKVKSJNLKPHUGKA-RUZDIDTESA-N
MW417.55 g/mol
LogP5.32
Rot. Bonds9

About 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol

2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol (PubChem CID 70066578) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol
PubChem CID70066578
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol
SMILESCOc1ccc([C@H](Cc2ccncc2)c2ccc(CCO)cc2)cc1OC1CCCC1
InChIInChI=1S/C27H31NO3/c1-30-26-11-10-23(19-27(26)31-24-4-2-3-5-24)25(18-21-12-15-28-16-13-21)22-8-6-20(7-9-22)14-17-29/h6-13,15-16,19,24-25,29H,2-5,14,17-18H2,1H3/t25-/m1/s1
InChIKeyKVKSJNLKPHUGKA-RUZDIDTESA-N
XLogP5.32
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol with MolForge

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Related Compounds

4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine
CID 54365893
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
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
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
N-[3-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 21360946
1-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-(2-methylphenyl)sulfonylurea
CID 56989314
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol?
The IUPAC name of 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol (CID 70066578) is 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol is COc1ccc([C@H](Cc2ccncc2)c2ccc(CCO)cc2)cc1OC1CCCC1.
What is the InChIKey of 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol?
The InChIKey is KVKSJNLKPHUGKA-RUZDIDTESA-N. The full InChI is InChI=1S/C27H31NO3/c1-30-26-11-10-23(19-27(26)31-24-4-2-3-5-24)25(18-21-12-15-28-16-13-21)22-8-6-20(7-9-22)14-17-29/h6-13,15-16,19,24-25,29H,2-5,14,17-18H2,1H3/t25-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol?
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol has a molecular weight of 417.55 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol is sourced from PubChem (CID 70066578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).