1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol

C16H17NO — CID 79980080

IUPAC1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)c1cccc(C2CC2)c1
InChIInChI=1S/C16H17NO/c18-16(10-12-6-8-17-9-7-12)15-3-1-2-14(11-15)13-4-5-13/h1-3,6-9,11,13,16,18H,4-5,10H2
InChIKeyXJEWQPHNTDUNSB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.24
Rot. Bonds4

About 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol

1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol (PubChem CID 79980080) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
PubChem CID79980080
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)c1cccc(C2CC2)c1
InChIInChI=1S/C16H17NO/c18-16(10-12-6-8-17-9-7-12)15-3-1-2-14(11-15)13-4-5-13/h1-3,6-9,11,13,16,18H,4-5,10H2
InChIKeyXJEWQPHNTDUNSB-UHFFFAOYSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
[1-(3-cyclobutylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212360
1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642027
1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol
CID 114602177
2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79973010
1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
CID 79980245
2-(4-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980644
1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 114602227
1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046178
2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980714
1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 79979836
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol?
The IUPAC name of 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol (CID 79980080) is 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol?
The canonical SMILES for 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol is OC(Cc1ccncc1)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol?
The InChIKey is XJEWQPHNTDUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(10-12-6-8-17-9-7-12)15-3-1-2-14(11-15)13-4-5-13/h1-3,6-9,11,13,16,18H,4-5,10H2.
What are the key properties of 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol?
1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol has a molecular weight of 239.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol is sourced from PubChem (CID 79980080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).