2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid

C18H20O2 — CID 175208086

IUPAC2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid
SMILESCCC(C)(C(=O)O)c1ccccc1-c1ccccc1C
InChIInChI=1S/C18H20O2/c1-4-18(3,17(19)20)16-12-8-7-11-15(16)14-10-6-5-9-13(14)2/h5-12H,4H2,1-3H3,(H,19,20)
InChIKeySQNAEJVSDXHQDW-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.41
Rot. Bonds4

About 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid

2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid (PubChem CID 175208086) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid
PubChem CID175208086
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid
SMILESCCC(C)(C(=O)O)c1ccccc1-c1ccccc1C
InChIInChI=1S/C18H20O2/c1-4-18(3,17(19)20)16-12-8-7-11-15(16)14-10-6-5-9-13(14)2/h5-12H,4H2,1-3H3,(H,19,20)
InChIKeySQNAEJVSDXHQDW-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4-cyano-2-methyl-2-(2-methylphenyl)butanoic acid
CID 117049603
2,12-dimethyl-2,12-bis(2-methylphenyl)-7-oxotridecanedioic acid
CID 142135678
5-(2-carboxybutan-2-yl)thiophene-2-carboxylic acid
CID 18961734
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104
2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid
CID 114992783
4-tert-butyl-2-(2-methylphenyl)benzoic acid
CID 20627859
ethane;2-(2-methylphenyl)phenol;propane
CID 142042568
[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid
CID 118168944
2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine
CID 173188958
2-methyl-2-phenylbutanethioic S-acid
CID 87854025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid?
The IUPAC name of 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid (CID 175208086) is 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid is CCC(C)(C(=O)O)c1ccccc1-c1ccccc1C.
What is the InChIKey of 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid?
The InChIKey is SQNAEJVSDXHQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-18(3,17(19)20)16-12-8-7-11-15(16)14-10-6-5-9-13(14)2/h5-12H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid?
2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid is sourced from PubChem (CID 175208086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).