bis[4-(4-propan-2-ylphenyl)phenyl]methanone

C31H30O — CID 175028930

IUPACbis[4-(4-propan-2-ylphenyl)phenyl]methanone
SMILESCC(C)c1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(C(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H30O/c1-21(2)23-5-9-25(10-6-23)27-13-17-29(18-14-27)31(32)30-19-15-28(16-20-30)26-11-7-24(8-12-26)22(3)4/h5-22H,1-4H3
InChIKeyYDAPMVXZINCBNQ-UHFFFAOYSA-N
MW418.58 g/mol
LogP8.50
Rot. Bonds6

About bis[4-(4-propan-2-ylphenyl)phenyl]methanone

bis[4-(4-propan-2-ylphenyl)phenyl]methanone (PubChem CID 175028930) has the molecular formula C31H30O and a molecular weight of 418.58 g/mol. Its IUPAC name is bis[4-(4-propan-2-ylphenyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(4-propan-2-ylphenyl)phenyl]methanone
PubChem CID175028930
Molecular FormulaC31H30O
Molecular Weight418.58 g/mol
Exact Mass418.23
IUPAC Namebis[4-(4-propan-2-ylphenyl)phenyl]methanone
SMILESCC(C)c1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(C(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H30O/c1-21(2)23-5-9-25(10-6-23)27-13-17-29(18-14-27)31(32)30-19-15-28(16-20-30)26-11-7-24(8-12-26)22(3)4/h5-22H,1-4H3
InChIKeyYDAPMVXZINCBNQ-UHFFFAOYSA-N
XLogP8.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-oxo-2-[4-(4-propan-2-ylphenyl)phenyl]acetamide
CID 144811591
(4-methylphenyl)-[4-[2-[4-(4-propan-2-ylbenzoyl)phenyl]ethynyl]phenyl]methanone
CID 91278479
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone
CID 122186216
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 65299129
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-propan-2-ylphenyl)phenyl]methanone?
The IUPAC name of bis[4-(4-propan-2-ylphenyl)phenyl]methanone (CID 175028930) is bis[4-(4-propan-2-ylphenyl)phenyl]methanone.
What is the SMILES notation for bis[4-(4-propan-2-ylphenyl)phenyl]methanone?
The canonical SMILES for bis[4-(4-propan-2-ylphenyl)phenyl]methanone is CC(C)c1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(C(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-(4-propan-2-ylphenyl)phenyl]methanone?
The InChIKey is YDAPMVXZINCBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O/c1-21(2)23-5-9-25(10-6-23)27-13-17-29(18-14-27)31(32)30-19-15-28(16-20-30)26-11-7-24(8-12-26)22(3)4/h5-22H,1-4H3.
What are the key properties of bis[4-(4-propan-2-ylphenyl)phenyl]methanone?
bis[4-(4-propan-2-ylphenyl)phenyl]methanone has a molecular weight of 418.58 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-propan-2-ylphenyl)phenyl]methanone is sourced from PubChem (CID 175028930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).