(3-methylphenyl)-naphthalen-2-ylmethanone

C18H14O — CID 15552635

IUPAC(3-methylphenyl)-naphthalen-2-ylmethanone
SMILESCc1cccc(C(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H14O/c1-13-5-4-8-16(11-13)18(19)17-10-9-14-6-2-3-7-15(14)12-17/h2-12H,1H3
InChIKeyAULIKSRZPYYQEG-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.38
Rot. Bonds2

About (3-methylphenyl)-naphthalen-2-ylmethanone

(3-methylphenyl)-naphthalen-2-ylmethanone (PubChem CID 15552635) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is (3-methylphenyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3-methylphenyl)-naphthalen-2-ylmethanone
PubChem CID15552635
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name(3-methylphenyl)-naphthalen-2-ylmethanone
SMILESCc1cccc(C(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H14O/c1-13-5-4-8-16(11-13)18(19)17-10-9-14-6-2-3-7-15(14)12-17/h2-12H,1H3
InChIKeyAULIKSRZPYYQEG-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
dinaphthalen-2-ylmethanone
CID 10945915
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone
CID 141016021
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
naphthalen-2-ylmethyl 3-methylbenzoate
CID 976134

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-naphthalen-2-ylmethanone?
The IUPAC name of (3-methylphenyl)-naphthalen-2-ylmethanone (CID 15552635) is (3-methylphenyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3-methylphenyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3-methylphenyl)-naphthalen-2-ylmethanone is Cc1cccc(C(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of (3-methylphenyl)-naphthalen-2-ylmethanone?
The InChIKey is AULIKSRZPYYQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-13-5-4-8-16(11-13)18(19)17-10-9-14-6-2-3-7-15(14)12-17/h2-12H,1H3.
What are the key properties of (3-methylphenyl)-naphthalen-2-ylmethanone?
(3-methylphenyl)-naphthalen-2-ylmethanone has a molecular weight of 246.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 15552635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).