5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid

C18H19ClO2 — CID 154249541

IUPAC5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid
SMILESCC(CCCc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O
InChIInChI=1S/C18H19ClO2/c1-13(18(20)21)4-2-5-14-8-10-15(11-9-14)16-6-3-7-17(19)12-16/h3,6-13H,2,4-5H2,1H3,(H,20,21)
InChIKeyMEAGGDGIYXEVTD-UHFFFAOYSA-N
MW302.80 g/mol
LogP5.05
Rot. Bonds6

About 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid

5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid (PubChem CID 154249541) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid
PubChem CID154249541
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid
SMILESCC(CCCc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O
InChIInChI=1S/C18H19ClO2/c1-13(18(20)21)4-2-5-14-8-10-15(11-9-14)16-6-3-7-17(19)12-16/h3,6-13H,2,4-5H2,1H3,(H,20,21)
InChIKeyMEAGGDGIYXEVTD-UHFFFAOYSA-N
XLogP5.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.80
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
4-[[2-amino-2-(aminohydrazinylidene)acetyl]amino]-6-[4-(3-chlorophenyl)phenyl]-2-methylhexanoic acid
CID 91224513
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
CID 68754713
4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
CID 123714771
(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid
CID 141436142
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
CID 59318450
1-[[4-(3-chlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 46872742

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid?
The IUPAC name of 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid (CID 154249541) is 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid.
What is the SMILES notation for 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid?
The canonical SMILES for 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid is CC(CCCc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O.
What is the InChIKey of 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid?
The InChIKey is MEAGGDGIYXEVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-13(18(20)21)4-2-5-14-8-10-15(11-9-14)16-6-3-7-17(19)12-16/h3,6-13H,2,4-5H2,1H3,(H,20,21).
What are the key properties of 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid?
5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid has a molecular weight of 302.80 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid is sourced from PubChem (CID 154249541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).