ethane;2-methyl-4-(4-phenylphenyl)butanoic acid

C19H24O2 — CID 144791729

IUPACethane;2-methyl-4-(4-phenylphenyl)butanoic acid
SMILESCC.CC(CCc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H18O2.C2H6/c1-13(17(18)19)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15;1-2/h2-6,9-13H,7-8H2,1H3,(H,18,19);1-2H3
InChIKeyZCHJIRKDJOPHHX-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.03
Rot. Bonds5

About ethane;2-methyl-4-(4-phenylphenyl)butanoic acid

ethane;2-methyl-4-(4-phenylphenyl)butanoic acid (PubChem CID 144791729) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethane;2-methyl-4-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Nameethane;2-methyl-4-(4-phenylphenyl)butanoic acid
PubChem CID144791729
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Nameethane;2-methyl-4-(4-phenylphenyl)butanoic acid
SMILESCC.CC(CCc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H18O2.C2H6/c1-13(17(18)19)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15;1-2/h2-6,9-13H,7-8H2,1H3,(H,18,19);1-2H3
InChIKeyZCHJIRKDJOPHHX-UHFFFAOYSA-N
XLogP5.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-phenylbutanoic acid
CID 66896591
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid
CID 154249541
(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
CID 59318450
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide
CID 163300543
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(4-phenylphenyl)butanoic acid?
The IUPAC name of ethane;2-methyl-4-(4-phenylphenyl)butanoic acid (CID 144791729) is ethane;2-methyl-4-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for ethane;2-methyl-4-(4-phenylphenyl)butanoic acid?
The canonical SMILES for ethane;2-methyl-4-(4-phenylphenyl)butanoic acid is CC.CC(CCc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of ethane;2-methyl-4-(4-phenylphenyl)butanoic acid?
The InChIKey is ZCHJIRKDJOPHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.C2H6/c1-13(17(18)19)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15;1-2/h2-6,9-13H,7-8H2,1H3,(H,18,19);1-2H3.
What are the key properties of ethane;2-methyl-4-(4-phenylphenyl)butanoic acid?
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 144791729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).