2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol

C21H29NO — CID 175233459

IUPAC2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol
SMILESCCc1ccccc1C(C)C(CO)C(CC)Cc1cccnc1
InChIInChI=1S/C21H29NO/c1-4-18-10-6-7-11-20(18)16(3)21(15-23)19(5-2)13-17-9-8-12-22-14-17/h6-12,14,16,19,21,23H,4-5,13,15H2,1-3H3
InChIKeySEOVXUUFSVNRFE-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.62
Rot. Bonds8

About 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol

2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol (PubChem CID 175233459) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol
PubChem CID175233459
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol
SMILESCCc1ccccc1C(C)C(CO)C(CC)Cc1cccnc1
InChIInChI=1S/C21H29NO/c1-4-18-10-6-7-11-20(18)16(3)21(15-23)19(5-2)13-17-9-8-12-22-14-17/h6-12,14,16,19,21,23H,4-5,13,15H2,1-3H3
InChIKeySEOVXUUFSVNRFE-UHFFFAOYSA-N
XLogP4.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine
CID 19783340
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
2-bromo-3-pyridin-3-ylpropan-1-ol
CID 70078004
3-ethylpyridine
CID 10823
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol
CID 174423462
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol?
The IUPAC name of 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol (CID 175233459) is 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol.
What is the SMILES notation for 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol?
The canonical SMILES for 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol is CCc1ccccc1C(C)C(CO)C(CC)Cc1cccnc1.
What is the InChIKey of 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol?
The InChIKey is SEOVXUUFSVNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-4-18-10-6-7-11-20(18)16(3)21(15-23)19(5-2)13-17-9-8-12-22-14-17/h6-12,14,16,19,21,23H,4-5,13,15H2,1-3H3.
What are the key properties of 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol?
2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol has a molecular weight of 311.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol is sourced from PubChem (CID 175233459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).