1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol

C16H18ClNO — CID 106868066

IUPAC1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
SMILESCc1ccc(CC(O)CCc2cccnc2)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-12-4-6-14(16(17)9-12)10-15(19)7-5-13-3-2-8-18-11-13/h2-4,6,8-9,11,15,19H,5,7,10H2,1H3
InChIKeyUIECZMYBYHRJLI-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol

1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol (PubChem CID 106868066) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
PubChem CID106868066
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
SMILESCc1ccc(CC(O)CCc2cccnc2)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-12-4-6-14(16(17)9-12)10-15(19)7-5-13-3-2-8-18-11-13/h2-4,6,8-9,11,15,19H,5,7,10H2,1H3
InChIKeyUIECZMYBYHRJLI-UHFFFAOYSA-N
XLogP3.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol
CID 106868054
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
[1-(2-chloro-4-methylphenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 106868440
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpropan-2-ol
CID 62552066
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol (CID 106868066) is 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol is Cc1ccc(CC(O)CCc2cccnc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol?
The InChIKey is UIECZMYBYHRJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-4-6-14(16(17)9-12)10-15(19)7-5-13-3-2-8-18-11-13/h2-4,6,8-9,11,15,19H,5,7,10H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol?
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol has a molecular weight of 275.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 106868066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).