(2,5-dimethylphenyl)-naphthalen-1-ylmethanone

C19H16O — CID 43337274

IUPAC(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
SMILESCc1ccc(C)c(C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H16O/c1-13-10-11-14(2)18(12-13)19(20)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3
InChIKeyCJOIKNSXUFUAJG-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.69
Rot. Bonds2

About (2,5-dimethylphenyl)-naphthalen-1-ylmethanone

(2,5-dimethylphenyl)-naphthalen-1-ylmethanone (PubChem CID 43337274) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
PubChem CID43337274
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
SMILESCc1ccc(C)c(C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H16O/c1-13-10-11-14(2)18(12-13)19(20)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3
InChIKeyCJOIKNSXUFUAJG-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102
[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone
CID 58922083
[2-(2,4-dimethylphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 7785268
2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
CID 110886651
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-naphthalen-1-ylmethanone?
The IUPAC name of (2,5-dimethylphenyl)-naphthalen-1-ylmethanone (CID 43337274) is (2,5-dimethylphenyl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2,5-dimethylphenyl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2,5-dimethylphenyl)-naphthalen-1-ylmethanone is Cc1ccc(C)c(C(=O)c2cccc3ccccc23)c1.
What is the InChIKey of (2,5-dimethylphenyl)-naphthalen-1-ylmethanone?
The InChIKey is CJOIKNSXUFUAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-13-10-11-14(2)18(12-13)19(20)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-naphthalen-1-ylmethanone?
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 43337274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).