(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

C16H13ClO — CID 129404838

IUPAC(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CC[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H13ClO/c17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18/h1-8,14H,9-10H2/t14-/m0/s1
InChIKeyQPAZOQPROMDLBB-AWEZNQCLSA-N
MW256.73 g/mol
LogP4.25
Rot. Bonds1

About (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 129404838) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID129404838
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CC[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H13ClO/c17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18/h1-8,14H,9-10H2/t14-/m0/s1
InChIKeyQPAZOQPROMDLBB-AWEZNQCLSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 125478212
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660
2-[(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 107307030
(2S)-2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 90280813
2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 63399483
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
2,10b-dihydro-1H-aceanthrylen-6-one
CID 176639548
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 155310620
2-(2-chloro-2,2-difluoroacetyl)-3,4-dihydro-2H-naphthalen-1-one
CID 121009300
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 129404838) is (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CC[C@H]1c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QPAZOQPROMDLBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13ClO/c17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18/h1-8,14H,9-10H2/t14-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 256.73 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 129404838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).