[(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol

C19H22ClNO — CID 141130927

IUPAC[(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol
SMILESCC1=CN(c2ccc(Cl)cc2)C(C2C=CCC[C@@H]2CO)C=C1
InChIInChI=1S/C19H22ClNO/c1-14-6-11-19(18-5-3-2-4-15(18)13-22)21(12-14)17-9-7-16(20)8-10-17/h3,5-12,15,18-19,22H,2,4,13H2,1H3/t15-,18?,19?/m1/s1
InChIKeyCITSFDANRHGYHE-VNCLNFNDSA-N
MW315.84 g/mol
LogP4.56
Rot. Bonds3

About [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol

[(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol (PubChem CID 141130927) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol
PubChem CID141130927
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name[(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol
SMILESCC1=CN(c2ccc(Cl)cc2)C(C2C=CCC[C@@H]2CO)C=C1
InChIInChI=1S/C19H22ClNO/c1-14-6-11-19(18-5-3-2-4-15(18)13-22)21(12-14)17-9-7-16(20)8-10-17/h3,5-12,15,18-19,22H,2,4,13H2,1H3/t15-,18?,19?/m1/s1
InChIKeyCITSFDANRHGYHE-VNCLNFNDSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-Chlorophenyl)piperidin-3-yl]methanol
CID 10013911
{(3R*,4R*)-1-[1-(4-chlorophenyl)piperidin-4-yl]-4-[(dimethylamino)methyl]pyrrolidin-3-yl}methanol
CID 70784971
2-(N-benzyl-3-chloro-4-fluoroanilino)pentan-1-ol
CID 11544299
2-(N-benzyl-3-chloro-4-fluoroanilino)butan-1-ol
CID 11551304
2-[Benzyl(3-chloro-4-fluorophenyl)amino]-3-methylbutan-1-ol
CID 11573330
[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-cyclohexylmethanol
CID 70277377
[1-(4-Chloro-2-fluorophenyl)piperidin-4-yl]methanol
CID 170087109
2-[1-(3-Chloro-4-fluorophenyl)piperidin-3-yl]ethanol
CID 117026003
(1-(4-Chlorophenyl)pyrrolidin-3-YL)methanol
CID 11820478
1-(2-Chlorophenyl)-4-piperidinemethanol
CID 17767495
4-(3-Chloro-10,11-dihydrobenzo[d][1]benzazepin-5-yl)butan-1-ol
CID 18521497
1-(4-chloro-N,3-dimethylanilino)ethanol
CID 20477257

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol (CID 141130927) is [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol is CC1=CN(c2ccc(Cl)cc2)C(C2C=CCC[C@@H]2CO)C=C1.
What is the InChIKey of [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol?
The InChIKey is CITSFDANRHGYHE-VNCLNFNDSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-14-6-11-19(18-5-3-2-4-15(18)13-22)21(12-14)17-9-7-16(20)8-10-17/h3,5-12,15,18-19,22H,2,4,13H2,1H3/t15-,18?,19?/m1/s1.
What are the key properties of [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol?
[(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol has a molecular weight of 315.84 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[1-(4-chlorophenyl)-5-methyl-2H-pyridin-2-yl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 141130927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).