(4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one

C16H10Cl2O — CID 163779866

IUPAC(4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one
SMILESO=C1C=C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H10Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-9,11H/t11-/m0/s1
InChIKeyMNSMGQRFMXXKKH-NSHDSACASA-N
MW289.16 g/mol
LogP4.88
Rot. Bonds1

About (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one

(4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one (PubChem CID 163779866) has the molecular formula C16H10Cl2O and a molecular weight of 289.16 g/mol. Its IUPAC name is (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one.

Molecular Properties

Compound Name(4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one
PubChem CID163779866
Molecular FormulaC16H10Cl2O
Molecular Weight289.16 g/mol
Exact Mass288.01
IUPAC Name(4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one
SMILESO=C1C=C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H10Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-9,11H/t11-/m0/s1
InChIKeyMNSMGQRFMXXKKH-NSHDSACASA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one
CID 175907146
(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene
CID 129363851
1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene
CID 59143933
N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide
CID 118671103
(2Z)-4-(3,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3,4-dihydronaphthalen-1-one
CID 67426551
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
(6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one
CID 122206566
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
(NE,R)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 71315985
N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 73033678
(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 69098024
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one?
The IUPAC name of (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one (CID 163779866) is (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one.
What is the SMILES notation for (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one?
The canonical SMILES for (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one is O=C1C=C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one?
The InChIKey is MNSMGQRFMXXKKH-NSHDSACASA-N. The full InChI is InChI=1S/C16H10Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-9,11H/t11-/m0/s1.
What are the key properties of (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one?
(4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one has a molecular weight of 289.16 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one is sourced from PubChem (CID 163779866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).