2-methyl-6-(1-phenylethyl)benzoic acid

C16H16O2 — CID 172685979

IUPAC2-methyl-6-(1-phenylethyl)benzoic acid
SMILESCc1cccc(C(C)c2ccccc2)c1C(=O)O
InChIInChI=1S/C16H16O2/c1-11-7-6-10-14(15(11)16(17)18)12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,17,18)
InChIKeyBATXMAYTFVSYQO-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.85
Rot. Bonds3

About 2-methyl-6-(1-phenylethyl)benzoic acid

2-methyl-6-(1-phenylethyl)benzoic acid (PubChem CID 172685979) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methyl-6-(1-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-6-(1-phenylethyl)benzoic acid
PubChem CID172685979
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-methyl-6-(1-phenylethyl)benzoic acid
SMILESCc1cccc(C(C)c2ccccc2)c1C(=O)O
InChIInChI=1S/C16H16O2/c1-11-7-6-10-14(15(11)16(17)18)12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,17,18)
InChIKeyBATXMAYTFVSYQO-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
CID 19033709
1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
CID 18968375
1-[2-methoxy-6-(1-phenylethyl)phenyl]ethanone
CID 102035801
2-(2-cyano-1,2-dihydroxyethyl)-6-methylbenzoic acid
CID 171870534
3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoic acid
CID 141016753
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
CID 14454114
2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 67582989
2-[2-[amino(phenyl)methyl]phenyl]-4-methylbenzene-1,3-dicarboxylic acid
CID 174756113
2-fluoro-6-methylbenzoic acid
CID 13478132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-phenylethyl)benzoic acid?
The IUPAC name of 2-methyl-6-(1-phenylethyl)benzoic acid (CID 172685979) is 2-methyl-6-(1-phenylethyl)benzoic acid.
What is the SMILES notation for 2-methyl-6-(1-phenylethyl)benzoic acid?
The canonical SMILES for 2-methyl-6-(1-phenylethyl)benzoic acid is Cc1cccc(C(C)c2ccccc2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-(1-phenylethyl)benzoic acid?
The InChIKey is BATXMAYTFVSYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-7-6-10-14(15(11)16(17)18)12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-6-(1-phenylethyl)benzoic acid?
2-methyl-6-(1-phenylethyl)benzoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-phenylethyl)benzoic acid is sourced from PubChem (CID 172685979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).