1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone

C19H22O — CID 97304566

IUPAC1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
SMILESCC[C@H](C)Cc1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H22O/c1-4-14(2)13-16-5-7-18(8-6-16)19-11-9-17(10-12-19)15(3)20/h5-12,14H,4,13H2,1-3H3/t14-/m0/s1
InChIKeyFQONVGBPISAVMG-AWEZNQCLSA-N
MW266.38 g/mol
LogP5.14
Rot. Bonds5

About 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone

1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone (PubChem CID 97304566) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
PubChem CID97304566
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
SMILESCC[C@H](C)Cc1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H22O/c1-4-14(2)13-16-5-7-18(8-6-16)19-11-9-17(10-12-19)15(3)20/h5-12,14H,4,13H2,1-3H3/t14-/m0/s1
InChIKeyFQONVGBPISAVMG-AWEZNQCLSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
CID 70849693
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
methyl (2S)-3-[4-(4-acetylphenyl)phenyl]-2-aminopropanoate;hydrochloride
CID 46172850
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
CID 91137941
1-[4-[4-(6-methyloctoxy)phenyl]phenyl]ethanone
CID 150349421
(4-heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate
CID 619719
(4-cyano-2,5-dimethylphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate
CID 161279208
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone (CID 97304566) is 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone is CC[C@H](C)Cc1ccc(-c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone?
The InChIKey is FQONVGBPISAVMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22O/c1-4-14(2)13-16-5-7-18(8-6-16)19-11-9-17(10-12-19)15(3)20/h5-12,14H,4,13H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone?
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone has a molecular weight of 266.38 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 97304566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).