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

C18H18O — CID 12705983

IUPAC6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(C2CCC(=O)c3ccc(C)cc32)cc1
InChIInChI=1S/C18H18O/c1-12-3-6-14(7-4-12)15-9-10-18(19)16-8-5-13(2)11-17(15)16/h3-8,11,15H,9-10H2,1-2H3
InChIKeyWQNYMMYYLXXYSC-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.41
Rot. Bonds1

About 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one

6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 12705983) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID12705983
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(C2CCC(=O)c3ccc(C)cc32)cc1
InChIInChI=1S/C18H18O/c1-12-3-6-14(7-4-12)15-9-10-18(19)16-8-5-13(2)11-17(15)16/h3-8,11,15H,9-10H2,1-2H3
InChIKeyWQNYMMYYLXXYSC-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 12705983) is 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one is Cc1ccc(C2CCC(=O)c3ccc(C)cc32)cc1.
What is the InChIKey of 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WQNYMMYYLXXYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-12-3-6-14(7-4-12)15-9-10-18(19)16-8-5-13(2)11-17(15)16/h3-8,11,15H,9-10H2,1-2H3.
What are the key properties of 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 12705983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).