[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone

C18H16ClNO2 — CID 102488289

IUPAC[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@H](O)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO2/c19-15-8-6-13(7-9-15)17-12-16(21)10-11-20(17)18(22)14-4-2-1-3-5-14/h1-9,12,16,21H,10-11H2/t16-/m0/s1
InChIKeyLAZVDGARJYBXSN-INIZCTEOSA-N
MW313.78 g/mol
LogP3.59
Rot. Bonds2

About [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone

[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone (PubChem CID 102488289) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
PubChem CID102488289
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@H](O)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO2/c19-15-8-6-13(7-9-15)17-12-16(21)10-11-20(17)18(22)14-4-2-1-3-5-14/h1-9,12,16,21H,10-11H2/t16-/m0/s1
InChIKeyLAZVDGARJYBXSN-INIZCTEOSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 138968528
[4-(benzylamino)-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 102454450
(7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone
CID 68648934
4-benzoyl-2-chloromorpholin-3-one
CID 19043816
(4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone
CID 132572449
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738192
1,2-dibenzoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 10093554
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 7302769
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668

Frequently Asked Questions

What is the IUPAC name of [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The IUPAC name of [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone (CID 102488289) is [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone.
What is the SMILES notation for [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The canonical SMILES for [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CC[C@H](O)C=C1c1ccc(Cl)cc1.
What is the InChIKey of [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The InChIKey is LAZVDGARJYBXSN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16ClNO2/c19-15-8-6-13(7-9-15)17-12-16(21)10-11-20(17)18(22)14-4-2-1-3-5-14/h1-9,12,16,21H,10-11H2/t16-/m0/s1.
What are the key properties of [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone?
[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone has a molecular weight of 313.78 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone is sourced from PubChem (CID 102488289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).