2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid

C23H21ClO2 — CID 175136983

IUPAC2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid
SMILESCc1c(C)c(C)c(-c2cccc(Cl)c2C(=O)O)c(-c2ccccc2)c1C
InChIInChI=1S/C23H21ClO2/c1-13-14(2)16(4)21(18-11-8-12-19(24)22(18)23(25)26)20(15(13)3)17-9-6-5-7-10-17/h5-12H,1-4H3,(H,25,26)
InChIKeyLSLKALLHJCIELI-UHFFFAOYSA-N
MW364.87 g/mol
LogP6.61
Rot. Bonds3

About 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid

2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid (PubChem CID 175136983) has the molecular formula C23H21ClO2 and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid
PubChem CID175136983
Molecular FormulaC23H21ClO2
Molecular Weight364.87 g/mol
Exact Mass364.12
IUPAC Name2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid
SMILESCc1c(C)c(C)c(-c2cccc(Cl)c2C(=O)O)c(-c2ccccc2)c1C
InChIInChI=1S/C23H21ClO2/c1-13-14(2)16(4)21(18-11-8-12-19(24)22(18)23(25)26)20(15(13)3)17-9-6-5-7-10-17/h5-12H,1-4H3,(H,25,26)
InChIKeyLSLKALLHJCIELI-UHFFFAOYSA-N
XLogP6.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.87
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
CID 11251659
CID 11251659
3-(2-chlorobenzoyl)-2-methylazulene-1-carboxylic acid
CID 139771641
2-chloro-4-methyl-6-phenylbenzoic acid
CID 90976650
3-chlorophthalic acid;phthalic acid
CID 174649164
5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
CID 175443870
calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride
CID 174904130
2-(chloromethyl)-4,5-dimethyl-6-phenylbenzene-1,3-dicarboxylic acid
CID 150971689
3-[2-[4-[2-(2,3-dicarboxy-4,5,6-triphenylphenyl)phenyl]phenyl]phenyl]-4,5,6-triphenylphthalic acid
CID 175738927
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
2,3-dimethylazulene-1-carboxylic acid
CID 54352550
2-chloro-6-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid?
The IUPAC name of 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid (CID 175136983) is 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid?
The canonical SMILES for 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid is Cc1c(C)c(C)c(-c2cccc(Cl)c2C(=O)O)c(-c2ccccc2)c1C.
What is the InChIKey of 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid?
The InChIKey is LSLKALLHJCIELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO2/c1-13-14(2)16(4)21(18-11-8-12-19(24)22(18)23(25)26)20(15(13)3)17-9-6-5-7-10-17/h5-12H,1-4H3,(H,25,26).
What are the key properties of 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid?
2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid has a molecular weight of 364.87 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid is sourced from PubChem (CID 175136983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).