2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone

C30H34O2 — CID 58311916

IUPAC2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
SMILESCCCCc1ccc(CC(=O)c2ccc(C(=O)Cc3ccc(CCCC)cc3)cc2)cc1
InChIInChI=1S/C30H34O2/c1-3-5-7-23-9-13-25(14-10-23)21-29(31)27-17-19-28(20-18-27)30(32)22-26-15-11-24(12-16-26)8-6-4-2/h9-20H,3-8,21-22H2,1-2H3
InChIKeyLHGVDTPVONBMJM-UHFFFAOYSA-N
MW426.60 g/mol
LogP7.22
Rot. Bonds12

About 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone

2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone (PubChem CID 58311916) has the molecular formula C30H34O2 and a molecular weight of 426.60 g/mol. Its IUPAC name is 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
PubChem CID58311916
Molecular FormulaC30H34O2
Molecular Weight426.60 g/mol
Exact Mass426.26
IUPAC Name2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
SMILESCCCCc1ccc(CC(=O)c2ccc(C(=O)Cc3ccc(CCCC)cc3)cc2)cc1
InChIInChI=1S/C30H34O2/c1-3-5-7-23-9-13-25(14-10-23)21-29(31)27-17-19-28(20-18-27)30(32)22-26-15-11-24(12-16-26)8-6-4-2/h9-20H,3-8,21-22H2,1-2H3
InChIKeyLHGVDTPVONBMJM-UHFFFAOYSA-N
XLogP7.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
1-[4-[2-[4-[(4-butylphenyl)diazenyl]phenyl]acetyl]phenyl]propan-2-one
CID 157420533
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
1-(4-butylphenyl)heptane-1,5-dione
CID 58301472
1-(4-butylphenyl)-5-chloropentan-1-one
CID 146005458
6-bromo-1-(4-butylphenyl)hexan-1-one
CID 146005459
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167
1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337843
1-(4-butylphenyl)-3-methylbutan-1-one
CID 43160107

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone?
The IUPAC name of 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone (CID 58311916) is 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone.
What is the SMILES notation for 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone?
The canonical SMILES for 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone is CCCCc1ccc(CC(=O)c2ccc(C(=O)Cc3ccc(CCCC)cc3)cc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone?
The InChIKey is LHGVDTPVONBMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O2/c1-3-5-7-23-9-13-25(14-10-23)21-29(31)27-17-19-28(20-18-27)30(32)22-26-15-11-24(12-16-26)8-6-4-2/h9-20H,3-8,21-22H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone?
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone has a molecular weight of 426.60 g/mol, XLogP of 7.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone is sourced from PubChem (CID 58311916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).