1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone

C20H24O — CID 70849693

IUPAC1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
SMILESCCC(c1ccc(-c2ccc(C(C)=O)cc2)cc1)C(C)C
InChIInChI=1S/C20H24O/c1-5-20(14(2)3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15(4)21/h6-14,20H,5H2,1-4H3
InChIKeyVGWFQSRQPPVXAD-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.71
Rot. Bonds5

About 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone

1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone (PubChem CID 70849693) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
PubChem CID70849693
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
SMILESCCC(c1ccc(-c2ccc(C(C)=O)cc2)cc1)C(C)C
InChIInChI=1S/C20H24O/c1-5-20(14(2)3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15(4)21/h6-14,20H,5H2,1-4H3
InChIKeyVGWFQSRQPPVXAD-UHFFFAOYSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
CID 91137941
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566
1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
CID 22760371
1-[4-(1-fluoropropyl)phenyl]ethanone
CID 84614625
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
3-[4-(4-acetylphenyl)phenyl]butyl acetate
CID 139763470
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-(4-acetylphenyl)-2-methylbutan-1-one;ethane
CID 178178337
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone (CID 70849693) is 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone is CCC(c1ccc(-c2ccc(C(C)=O)cc2)cc1)C(C)C.
What is the InChIKey of 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone?
The InChIKey is VGWFQSRQPPVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-5-20(14(2)3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15(4)21/h6-14,20H,5H2,1-4H3.
What are the key properties of 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone?
1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone is sourced from PubChem (CID 70849693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).