4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid

C17H17ClO2 — CID 21437966

IUPAC4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid
SMILESCc1cc(Cl)ccc1-c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C17H17ClO2/c1-12-11-15(18)9-10-16(12)14-7-5-13(6-8-14)3-2-4-17(19)20/h5-11H,2-4H2,1H3,(H,19,20)
InChIKeyPLRCMKNWDXYHEZ-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.72
Rot. Bonds5

About 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid

4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid (PubChem CID 21437966) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid
PubChem CID21437966
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid
SMILESCc1cc(Cl)ccc1-c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C17H17ClO2/c1-12-11-15(18)9-10-16(12)14-7-5-13(6-8-14)3-2-4-17(19)20/h5-11H,2-4H2,1H3,(H,19,20)
InChIKeyPLRCMKNWDXYHEZ-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-one
CID 114969894
4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
CID 21037055
10-(4-methylphenyl)decanoic acid
CID 54262490
3-[3-methyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propanoic acid
CID 118564200
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
4-[4-[2-(4-methylphenyl)ethynyl]phenyl]butanoic acid
CID 154693938
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208829
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
sodium 4-(4-chloro-2-methylphenyl)phenolate
CID 174930978
4-[2-[4-(4-tert-butylphenyl)phenyl]-2-[4-(4-chloro-2-methylphenyl)phenyl]ethyl]benzoic acid
CID 68559988
3-[4-[[4-(4-chloro-2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 143106406

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid (CID 21437966) is 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid is Cc1cc(Cl)ccc1-c1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid?
The InChIKey is PLRCMKNWDXYHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12-11-15(18)9-10-16(12)14-7-5-13(6-8-14)3-2-4-17(19)20/h5-11H,2-4H2,1H3,(H,19,20).
What are the key properties of 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid?
4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid has a molecular weight of 288.77 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid is sourced from PubChem (CID 21437966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).