3-(2-chloro-6-methylphenyl)propanoic acid

C10H11ClO2 — CID 84733648

IUPAC3-(2-chloro-6-methylphenyl)propanoic acid
SMILESCc1cccc(Cl)c1CCC(=O)O
InChIInChI=1S/C10H11ClO2/c1-7-3-2-4-9(11)8(7)5-6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyDSSFCOOHVIZHOR-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.67
Rot. Bonds3

About 3-(2-chloro-6-methylphenyl)propanoic acid

3-(2-chloro-6-methylphenyl)propanoic acid (PubChem CID 84733648) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-6-methylphenyl)propanoic acid
PubChem CID84733648
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name3-(2-chloro-6-methylphenyl)propanoic acid
SMILESCc1cccc(Cl)c1CCC(=O)O
InChIInChI=1S/C10H11ClO2/c1-7-3-2-4-9(11)8(7)5-6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyDSSFCOOHVIZHOR-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethyl-6-methylphenyl)propanoic acid
CID 82158159
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038
1-(2,6-dichlorophenyl)-4-methylpentan-3-one
CID 43175854
1-(2,6-dichlorophenyl)-4,4-dimethylpentan-3-one
CID 43370354
3-(3-chloro-2-hydroxyphenyl)propanoic acid
CID 54416196
3-(2,7-dimethyl-1-benzofuran-3-yl)propanoic acid
CID 83910179
3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100602252
2-bromo-1-(2-chloro-6-methylphenyl)hexan-3-one
CID 66248813
2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
CID 142968081
3-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 114322202
3-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 127018913

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylphenyl)propanoic acid?
The IUPAC name of 3-(2-chloro-6-methylphenyl)propanoic acid (CID 84733648) is 3-(2-chloro-6-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-chloro-6-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2-chloro-6-methylphenyl)propanoic acid is Cc1cccc(Cl)c1CCC(=O)O.
What is the InChIKey of 3-(2-chloro-6-methylphenyl)propanoic acid?
The InChIKey is DSSFCOOHVIZHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7-3-2-4-9(11)8(7)5-6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of 3-(2-chloro-6-methylphenyl)propanoic acid?
3-(2-chloro-6-methylphenyl)propanoic acid has a molecular weight of 198.65 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylphenyl)propanoic acid is sourced from PubChem (CID 84733648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).