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

C17H16O — CID 129258085

IUPAC(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccccc1[C@@H]1CCC(=O)c2ccccc21
InChIInChI=1S/C17H16O/c1-12-6-2-3-7-13(12)15-10-11-17(18)16-9-5-4-8-14(15)16/h2-9,15H,10-11H2,1H3/t15-/m0/s1
InChIKeyQGFNYPOLODRUFR-HNNXBMFYSA-N
MW236.31 g/mol
LogP4.10
Rot. Bonds1

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

(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 129258085) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID129258085
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccccc1[C@@H]1CCC(=O)c2ccccc21
InChIInChI=1S/C17H16O/c1-12-6-2-3-7-13(12)15-10-11-17(18)16-9-5-4-8-14(15)16/h2-9,15H,10-11H2,1H3/t15-/m0/s1
InChIKeyQGFNYPOLODRUFR-HNNXBMFYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride
CID 129384217
4-propanoyl-3,4-dihydro-2H-naphthalen-1-one
CID 20592810
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
(5R)-5-(2-methylphenyl)pyrrolidin-2-one
CID 124706826
6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12705983
N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide
CID 19377150
4-(2-methylphenyl)thiolan-3-one
CID 57014825
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
CID 102201716
4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 118087557
2,10b-dihydro-1H-aceanthrylen-6-one
CID 176639548
(2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
CID 11797380

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 129258085) is (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one is Cc1ccccc1[C@@H]1CCC(=O)c2ccccc21.
What is the InChIKey of (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QGFNYPOLODRUFR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-6-2-3-7-13(12)15-10-11-17(18)16-9-5-4-8-14(15)16/h2-9,15H,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 129258085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).