(2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone

C22H16O — CID 22624812

IUPAC(2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone
SMILESCc1ccc2ccccc2c1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H16O/c1-15-10-11-17-7-4-5-9-20(17)21(15)22(23)19-13-12-16-6-2-3-8-18(16)14-19/h2-14H,1H3
InChIKeyGCDFSVMEIZNGPZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.53
Rot. Bonds2

About (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone

(2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone (PubChem CID 22624812) has the molecular formula C22H16O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone
PubChem CID22624812
Molecular FormulaC22H16O
Molecular Weight296.37 g/mol
Exact Mass296.12
IUPAC Name(2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone
SMILESCc1ccc2ccccc2c1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H16O/c1-15-10-11-17-7-4-5-9-20(17)21(15)22(23)19-13-12-16-6-2-3-8-18(16)14-19/h2-14H,1H3
InChIKeyGCDFSVMEIZNGPZ-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone (CID 22624812) is (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone is Cc1ccc2ccccc2c1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is GCDFSVMEIZNGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O/c1-15-10-11-17-7-4-5-9-20(17)21(15)22(23)19-13-12-16-6-2-3-8-18(16)14-19/h2-14H,1H3.
What are the key properties of (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone?
(2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 22624812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).