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

C19H22O — CID 166479863

IUPACethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESCC.Cc1cccc(C2CC(=O)Cc3ccccc32)c1
InChIInChI=1S/C17H16O.C2H6/c1-12-5-4-7-13(9-12)17-11-15(18)10-14-6-2-3-8-16(14)17;1-2/h2-9,17H,10-11H2,1H3;1-2H3
InChIKeyKTSDYMOCSPYYAH-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.67
Rot. Bonds1

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

ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 166479863) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Nameethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID166479863
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Nameethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESCC.Cc1cccc(C2CC(=O)Cc3ccccc32)c1
InChIInChI=1S/C17H16O.C2H6/c1-12-5-4-7-13(9-12)17-11-15(18)10-14-6-2-3-8-16(14)17;1-2/h2-9,17H,10-11H2,1H3;1-2H3
InChIKeyKTSDYMOCSPYYAH-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 118052302
5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 102460636
3-(3-methylphenyl)oxolane-2,5-dione
CID 71683747
ethane;9-phenyl-3,6,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-7-one
CID 159488401
2-(3-methylphenyl)-4H-chromen-3-one
CID 70545875
4-bromo-3,4-dihydro-1H-naphthalen-2-one
CID 143469044
4-iodo-3,4-dihydro-1H-naphthalen-2-one
CID 138626469
ethane;3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479896
3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 102197918
8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
CID 56926900
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine
CID 57273771

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one (CID 166479863) is ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one is CC.Cc1cccc(C2CC(=O)Cc3ccccc32)c1.
What is the InChIKey of ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is KTSDYMOCSPYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O.C2H6/c1-12-5-4-7-13(9-12)17-11-15(18)10-14-6-2-3-8-16(14)17;1-2/h2-9,17H,10-11H2,1H3;1-2H3.
What are the key properties of ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one?
ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 166479863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).