1-[3-(4-butylphenyl)phenyl]ethanone

C18H20O — CID 11334246

IUPAC1-[3-(4-butylphenyl)phenyl]ethanone
SMILESCCCCc1ccc(-c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H20O/c1-3-4-6-15-9-11-16(12-10-15)18-8-5-7-17(13-18)14(2)19/h5,7-13H,3-4,6H2,1-2H3
InChIKeyHBCSBLVOPKOYCB-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.90
Rot. Bonds5

About 1-[3-(4-butylphenyl)phenyl]ethanone

1-[3-(4-butylphenyl)phenyl]ethanone (PubChem CID 11334246) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[3-(4-butylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-butylphenyl)phenyl]ethanone
PubChem CID11334246
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-[3-(4-butylphenyl)phenyl]ethanone
SMILESCCCCc1ccc(-c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H20O/c1-3-4-6-15-9-11-16(12-10-15)18-8-5-7-17(13-18)14(2)19/h5,7-13H,3-4,6H2,1-2H3
InChIKeyHBCSBLVOPKOYCB-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-butylphenyl)benzoic acid
CID 2757303
ethane;tetrakis(pentane);bis(1-(3-phenylphenyl)ethanone);propane;dihydrate
CID 160571189
[4-[4-[3-[4-[4-(4-butylbenzoyl)oxybenzoyl]oxyphenyl]phenyl]phenoxy]carbonylphenyl] 4-butylbenzoate
CID 58084959
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
1-bromo-3-(4-butylphenyl)benzene
CID 83666147
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
1-butyl-4-phenylbenzene;ethane
CID 143743409
(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride
CID 71685854

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-butylphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-butylphenyl)phenyl]ethanone (CID 11334246) is 1-[3-(4-butylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-butylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-butylphenyl)phenyl]ethanone is CCCCc1ccc(-c2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 1-[3-(4-butylphenyl)phenyl]ethanone?
The InChIKey is HBCSBLVOPKOYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-4-6-15-9-11-16(12-10-15)18-8-5-7-17(13-18)14(2)19/h5,7-13H,3-4,6H2,1-2H3.
What are the key properties of 1-[3-(4-butylphenyl)phenyl]ethanone?
1-[3-(4-butylphenyl)phenyl]ethanone has a molecular weight of 252.36 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-butylphenyl)phenyl]ethanone is sourced from PubChem (CID 11334246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).