1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone

C19H16O — CID 142221804

IUPAC1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2ccc(C)cc2c1-c1ccccc1
InChIInChI=1S/C19H16O/c1-13-8-9-15-10-11-17(14(2)20)19(18(15)12-13)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyMRNOXIDWWMKXOE-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.02
Rot. Bonds2

About 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone

1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone (PubChem CID 142221804) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone
PubChem CID142221804
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2ccc(C)cc2c1-c1ccccc1
InChIInChI=1S/C19H16O/c1-13-8-9-15-10-11-17(14(2)20)19(18(15)12-13)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyMRNOXIDWWMKXOE-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
acetic acid;1-bromo-7-methylnaphthalene
CID 174655473
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid
CID 115057687
2-(2-acetylnaphthalen-1-yl)acetic acid
CID 69135276
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
2,9-dimethyl-10-phenylanthracene
CID 58435289
2,5-dimethyl-12-phenyltetracene
CID 160669382
[2-methyl-5-(4-methylphenyl)benzo[a]anthracen-6-yl] acetate
CID 56837501
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone (CID 142221804) is 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone is CC(=O)c1ccc2ccc(C)cc2c1-c1ccccc1.
What is the InChIKey of 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone?
The InChIKey is MRNOXIDWWMKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-13-8-9-15-10-11-17(14(2)20)19(18(15)12-13)16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone?
1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone has a molecular weight of 260.34 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 142221804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).