(4-butylphenyl)-cyclobutylmethanone;ethane

C17H26O — CID 177148339

IUPAC(4-butylphenyl)-cyclobutylmethanone;ethane
SMILESCC.CCCCc1ccc(C(=O)C2CCC2)cc1
InChIInChI=1S/C15H20O.C2H6/c1-2-3-5-12-8-10-14(11-9-12)15(16)13-6-4-7-13;1-2/h8-11,13H,2-7H2,1H3;1-2H3
InChIKeyCOWOXZOQUQWXRY-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.04
Rot. Bonds5

About (4-butylphenyl)-cyclobutylmethanone;ethane

(4-butylphenyl)-cyclobutylmethanone;ethane (PubChem CID 177148339) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (4-butylphenyl)-cyclobutylmethanone;ethane.

Molecular Properties

Compound Name(4-butylphenyl)-cyclobutylmethanone;ethane
PubChem CID177148339
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(4-butylphenyl)-cyclobutylmethanone;ethane
SMILESCC.CCCCc1ccc(C(=O)C2CCC2)cc1
InChIInChI=1S/C15H20O.C2H6/c1-2-3-5-12-8-10-14(11-9-12)15(16)13-6-4-7-13;1-2/h8-11,13H,2-7H2,1H3;1-2H3
InChIKeyCOWOXZOQUQWXRY-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171941188
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide
CID 24818445
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155531741
4-butyl-N-cyclopentylbenzamide
CID 60674795
2-[4-(cyclobutanecarbonyl)phenyl]acetonitrile
CID 21431782
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-cyclobutylmethanone;ethane?
The IUPAC name of (4-butylphenyl)-cyclobutylmethanone;ethane (CID 177148339) is (4-butylphenyl)-cyclobutylmethanone;ethane.
What is the SMILES notation for (4-butylphenyl)-cyclobutylmethanone;ethane?
The canonical SMILES for (4-butylphenyl)-cyclobutylmethanone;ethane is CC.CCCCc1ccc(C(=O)C2CCC2)cc1.
What is the InChIKey of (4-butylphenyl)-cyclobutylmethanone;ethane?
The InChIKey is COWOXZOQUQWXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O.C2H6/c1-2-3-5-12-8-10-14(11-9-12)15(16)13-6-4-7-13;1-2/h8-11,13H,2-7H2,1H3;1-2H3.
What are the key properties of (4-butylphenyl)-cyclobutylmethanone;ethane?
(4-butylphenyl)-cyclobutylmethanone;ethane has a molecular weight of 246.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-cyclobutylmethanone;ethane is sourced from PubChem (CID 177148339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).