5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid

C16H15ClO2 — CID 59626118

IUPAC5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid
SMILESCc1cc(CCc2ccccc2)c(Cl)cc1C(=O)O
InChIInChI=1S/C16H15ClO2/c1-11-9-13(15(17)10-14(11)16(18)19)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyNXIUWDSXHHSWPT-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.13
Rot. Bonds4

About 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid

5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid (PubChem CID 59626118) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid
PubChem CID59626118
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid
SMILESCc1cc(CCc2ccccc2)c(Cl)cc1C(=O)O
InChIInChI=1S/C16H15ClO2/c1-11-9-13(15(17)10-14(11)16(18)19)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyNXIUWDSXHHSWPT-UHFFFAOYSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
CID 22675489
2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
methyl 5-chloro-2-methyl-4-(2-phenoxyethyl)benzoate
CID 126751751
2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine
CID 15154275
4-amino-2-(2-phenylethyl)benzoic acid
CID 66690543
6-methyl-2-(2-phenylacetyl)-3-(2-phenylethyl)-1H-indole-5-carboxylic acid
CID 134147622
2-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]benzoic acid
CID 22269838
2-ethyl-5-(2-phenylethyl)benzene-1,3-dicarboxylic acid
CID 175316956
2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol
CID 58192695
CID 162313209
CID 162313209
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid?
The IUPAC name of 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid (CID 59626118) is 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid is Cc1cc(CCc2ccccc2)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid?
The InChIKey is NXIUWDSXHHSWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-9-13(15(17)10-14(11)16(18)19)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid?
5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid has a molecular weight of 274.75 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid is sourced from PubChem (CID 59626118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).