3-methyl-3-(3-phenylphenyl)butanoic acid

C17H18O2 — CID 117389329

IUPAC3-methyl-3-(3-phenylphenyl)butanoic acid
SMILESCC(C)(CC(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-17(2,12-16(18)19)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyBPSSCMBQHRDETL-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.11
Rot. Bonds4

About 3-methyl-3-(3-phenylphenyl)butanoic acid

3-methyl-3-(3-phenylphenyl)butanoic acid (PubChem CID 117389329) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-3-(3-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(3-phenylphenyl)butanoic acid
PubChem CID117389329
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-methyl-3-(3-phenylphenyl)butanoic acid
SMILESCC(C)(CC(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-17(2,12-16(18)19)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyBPSSCMBQHRDETL-UHFFFAOYSA-N
XLogP4.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(1,1-difluoroethyl)phenyl]-3-methylbutanoic acid
CID 117357567
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
3-methyl-3-[3-(2,2,2-trifluoroethyl)phenyl]butanoic acid
CID 117404449
3-[3-(2-fluoropropyl)phenyl]-3-methylbutanoic acid
CID 117349432
3,3-bis[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]butanoic acid
CID 139605185
ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate
CID 155818764
3-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]butanoic acid
CID 117442851
1-(3-phenylphenyl)ethane-1,1-diamine
CID 174427406
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-3-methylbutanoic acid
CID 115112941
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397
[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
CID 134547269
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-phenylphenyl)butanoic acid?
The IUPAC name of 3-methyl-3-(3-phenylphenyl)butanoic acid (CID 117389329) is 3-methyl-3-(3-phenylphenyl)butanoic acid.
What is the SMILES notation for 3-methyl-3-(3-phenylphenyl)butanoic acid?
The canonical SMILES for 3-methyl-3-(3-phenylphenyl)butanoic acid is CC(C)(CC(=O)O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-methyl-3-(3-phenylphenyl)butanoic acid?
The InChIKey is BPSSCMBQHRDETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,12-16(18)19)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-3-(3-phenylphenyl)butanoic acid?
3-methyl-3-(3-phenylphenyl)butanoic acid has a molecular weight of 254.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-phenylphenyl)butanoic acid is sourced from PubChem (CID 117389329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).