1-[4-(7-methylnonan-4-yl)phenyl]ethanone

C18H28O — CID 143452175

IUPAC1-[4-(7-methylnonan-4-yl)phenyl]ethanone
SMILESCCCC(CCC(C)CC)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H28O/c1-5-7-17(9-8-14(3)6-2)18-12-10-16(11-13-18)15(4)19/h10-14,17H,5-9H2,1-4H3
InChIKeyZTWYKIZWSRCQJE-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.60
Rot. Bonds8

About 1-[4-(7-methylnonan-4-yl)phenyl]ethanone

1-[4-(7-methylnonan-4-yl)phenyl]ethanone (PubChem CID 143452175) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[4-(7-methylnonan-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(7-methylnonan-4-yl)phenyl]ethanone
PubChem CID143452175
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-[4-(7-methylnonan-4-yl)phenyl]ethanone
SMILESCCCC(CCC(C)CC)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H28O/c1-5-7-17(9-8-14(3)6-2)18-12-10-16(11-13-18)15(4)19/h10-14,17H,5-9H2,1-4H3
InChIKeyZTWYKIZWSRCQJE-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(7-methyloctan-4-yl)benzamide
CID 143698949
1-heptan-4-yl-4-prop-1-en-2-ylbenzene
CID 144559861
4-(3,11-diphenyltetradecan-7-yl)benzoic acid
CID 134941596
1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
CID 175118558
1-[4-[(1S)-1-methoxybutyl]phenyl]ethanone
CID 124500308
1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene
CID 170062648
1-[4-(1-fluoropropyl)phenyl]ethanone
CID 84614625
1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
CID 70849693
(3-acetyl-4-methylphenyl)-nitrosoazanide;methylazanide;4-(7-methylnonan-4-yl)benzonitrile;tungsten(2+)
CID 143698707
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
4-(1-carboxypentan-2-yl)benzoic acid
CID 83959455
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-methylnonan-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(7-methylnonan-4-yl)phenyl]ethanone (CID 143452175) is 1-[4-(7-methylnonan-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(7-methylnonan-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(7-methylnonan-4-yl)phenyl]ethanone is CCCC(CCC(C)CC)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(7-methylnonan-4-yl)phenyl]ethanone?
The InChIKey is ZTWYKIZWSRCQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-5-7-17(9-8-14(3)6-2)18-12-10-16(11-13-18)15(4)19/h10-14,17H,5-9H2,1-4H3.
What are the key properties of 1-[4-(7-methylnonan-4-yl)phenyl]ethanone?
1-[4-(7-methylnonan-4-yl)phenyl]ethanone has a molecular weight of 260.42 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methylnonan-4-yl)phenyl]ethanone is sourced from PubChem (CID 143452175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).