1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol

C17H17NO — CID 142646871

IUPAC1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol
SMILESCc1cccc(C2(O)CCC=C2c2ccncc2)c1
InChIInChI=1S/C17H17NO/c1-13-4-2-5-15(12-13)17(19)9-3-6-16(17)14-7-10-18-11-8-14/h2,4-8,10-12,19H,3,9H2,1H3
InChIKeyZFXQUWVLXTZCOW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.46
Rot. Bonds2

About 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol

1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol (PubChem CID 142646871) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol
PubChem CID142646871
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol
SMILESCc1cccc(C2(O)CCC=C2c2ccncc2)c1
InChIInChI=1S/C17H17NO/c1-13-4-2-5-15(12-13)17(19)9-3-6-16(17)14-7-10-18-11-8-14/h2,4-8,10-12,19H,3,9H2,1H3
InChIKeyZFXQUWVLXTZCOW-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one
CID 21266548
4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol
CID 125470767
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine
CID 167713448
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
butane;4-(3-methylphenyl)pyridine
CID 155692257
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204
3-(3-methylphenyl)thian-3-ol
CID 83688253

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol?
The IUPAC name of 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol (CID 142646871) is 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol.
What is the SMILES notation for 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol?
The canonical SMILES for 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol is Cc1cccc(C2(O)CCC=C2c2ccncc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol?
The InChIKey is ZFXQUWVLXTZCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-4-2-5-15(12-13)17(19)9-3-6-16(17)14-7-10-18-11-8-14/h2,4-8,10-12,19H,3,9H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol?
1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol has a molecular weight of 251.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol is sourced from PubChem (CID 142646871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).