1-(2-methylphenyl)undecan-1-one

C18H28O — CID 63409592

IUPAC1-(2-methylphenyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccccc1C
InChIInChI=1S/C18H28O/c1-3-4-5-6-7-8-9-10-15-18(19)17-14-12-11-13-16(17)2/h11-14H,3-10,15H2,1-2H3
InChIKeyFVEWSTZJCTVWJU-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.71
Rot. Bonds10

About 1-(2-methylphenyl)undecan-1-one

1-(2-methylphenyl)undecan-1-one (PubChem CID 63409592) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)undecan-1-one.

Molecular Properties

Compound Name1-(2-methylphenyl)undecan-1-one
PubChem CID63409592
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-(2-methylphenyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccccc1C
InChIInChI=1S/C18H28O/c1-3-4-5-6-7-8-9-10-15-18(19)17-14-12-11-13-16(17)2/h11-14H,3-10,15H2,1-2H3
InChIKeyFVEWSTZJCTVWJU-UHFFFAOYSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897
1-(2-chloro-3-methylphenyl)octadecan-1-one
CID 174846983
1-(2-methylphenyl)dodecane-1,2-dione
CID 4661081
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-aminophenyl)octan-1-one
CID 64829239
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(2-methoxyphenyl)undecan-1-one
CID 63411736

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)undecan-1-one?
The IUPAC name of 1-(2-methylphenyl)undecan-1-one (CID 63409592) is 1-(2-methylphenyl)undecan-1-one.
What is the SMILES notation for 1-(2-methylphenyl)undecan-1-one?
The canonical SMILES for 1-(2-methylphenyl)undecan-1-one is CCCCCCCCCCC(=O)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)undecan-1-one?
The InChIKey is FVEWSTZJCTVWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-4-5-6-7-8-9-10-15-18(19)17-14-12-11-13-16(17)2/h11-14H,3-10,15H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)undecan-1-one?
1-(2-methylphenyl)undecan-1-one has a molecular weight of 260.42 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)undecan-1-one is sourced from PubChem (CID 63409592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).