3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid

C24H23ClO2 — CID 118198119

IUPAC3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid
SMILESCc1ccc(-c2ccc(-c3ccc(C)c(Cl)c3)c(C)c2)c(CCC(=O)O)c1
InChIInChI=1S/C24H23ClO2/c1-15-4-9-22(18(12-15)8-11-24(26)27)19-7-10-21(17(3)13-19)20-6-5-16(2)23(25)14-20/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,26,27)
InChIKeyFPKZXLNCMWEEEA-UHFFFAOYSA-N
MW378.90 g/mol
LogP6.62
Rot. Bonds5

About 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid

3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid (PubChem CID 118198119) has the molecular formula C24H23ClO2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid
PubChem CID118198119
Molecular FormulaC24H23ClO2
Molecular Weight378.90 g/mol
Exact Mass378.14
IUPAC Name3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid
SMILESCc1ccc(-c2ccc(-c3ccc(C)c(Cl)c3)c(C)c2)c(CCC(=O)O)c1
InChIInChI=1S/C24H23ClO2/c1-15-4-9-22(18(12-15)8-11-24(26)27)19-7-10-21(17(3)13-19)20-6-5-16(2)23(25)14-20/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,26,27)
InChIKeyFPKZXLNCMWEEEA-UHFFFAOYSA-N
XLogP6.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methoxyphenyl]propanoate
CID 118198123
methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid
CID 162205972
1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
CID 129016588
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
3-[5-chloro-2-(4-ethylsulfonyl-2-methylphenyl)-4-methylphenyl]propanoic acid
CID 71057158
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434
acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene
CID 70501688
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid?
The IUPAC name of 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid (CID 118198119) is 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid?
The canonical SMILES for 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid is Cc1ccc(-c2ccc(-c3ccc(C)c(Cl)c3)c(C)c2)c(CCC(=O)O)c1.
What is the InChIKey of 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid?
The InChIKey is FPKZXLNCMWEEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO2/c1-15-4-9-22(18(12-15)8-11-24(26)27)19-7-10-21(17(3)13-19)20-6-5-16(2)23(25)14-20/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,26,27).
What are the key properties of 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid?
3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid has a molecular weight of 378.90 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid is sourced from PubChem (CID 118198119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).