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

C18H16O — CID 21051927

IUPAC4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one
SMILESCC1=C(c2ccccc2C)C(=O)Cc2ccccc21
InChIInChI=1S/C18H16O/c1-12-7-3-5-9-15(12)18-13(2)16-10-6-4-8-14(16)11-17(18)19/h3-10H,11H2,1-2H3
InChIKeyZVHUKSDWFBZFLR-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.05
Rot. Bonds1

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

4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one (PubChem CID 21051927) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one
PubChem CID21051927
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one
SMILESCC1=C(c2ccccc2C)C(=O)Cc2ccccc21
InChIInChI=1S/C18H16O/c1-12-7-3-5-9-15(12)18-13(2)16-10-6-4-8-14(16)11-17(18)19/h3-10H,11H2,1-2H3
InChIKeyZVHUKSDWFBZFLR-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
4-tert-butyl-3-(2-ethylphenyl)-1H-naphthalen-2-one;4-tert-butyl-3-(2-methylphenyl)-1H-naphthalen-2-one;diiodomethane;ethane;iodoform
CID 157389438
2,3-dimethyl-1H-indene;ethane
CID 54108652
lithium;2,3-dimethyl-1H-indene;hydride
CID 174422478
3-hydrazinylidene-1H-inden-2-one
CID 131160811
3-methyl-1H-indene-2-carbonitrile
CID 2753059
(3-methyl-1H-inden-2-yl) acetate
CID 101441379
3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one
CID 139975422
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
3-imino-1H-inden-2-one
CID 142098046

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one?
The IUPAC name of 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one (CID 21051927) is 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one.
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one is CC1=C(c2ccccc2C)C(=O)Cc2ccccc21.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one?
The InChIKey is ZVHUKSDWFBZFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-12-7-3-5-9-15(12)18-13(2)16-10-6-4-8-14(16)11-17(18)19/h3-10H,11H2,1-2H3.
What are the key properties of 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one?
4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one has a molecular weight of 248.32 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one is sourced from PubChem (CID 21051927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).