2-chloro-6-(2-methylpropoxy)benzoic acid

C11H13ClO3 — CID 19005159

IUPAC2-chloro-6-(2-methylpropoxy)benzoic acid
SMILESCC(C)COc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C11H13ClO3/c1-7(2)6-15-9-5-3-4-8(12)10(9)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyPTFGKZYJRLRWJO-UHFFFAOYSA-N
MW228.67 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-6-(2-methylpropoxy)benzoic acid

2-chloro-6-(2-methylpropoxy)benzoic acid (PubChem CID 19005159) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropoxy)benzoic acid
PubChem CID19005159
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-chloro-6-(2-methylpropoxy)benzoic acid
SMILESCC(C)COc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C11H13ClO3/c1-7(2)6-15-9-5-3-4-8(12)10(9)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyPTFGKZYJRLRWJO-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889
2-chloro-6-(ethoxymethoxy)benzoic acid
CID 114320348
2-chloro-6-(2-phenoxyethoxy)benzoic acid
CID 28604962
2-chloro-6-(2-ethylsulfonylethoxy)benzoic acid
CID 113276812
2-(4-butan-2-ylphenoxy)-6-chlorobenzoic acid
CID 107665757
2-chloro-6-[4-(dimethylamino)-4-oxobutoxy]benzoic acid
CID 113276802
2-chloro-6-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 114320296
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
2-methoxy-3-(2-methylpropoxy)benzoic acid
CID 82161609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpropoxy)benzoic acid?
The IUPAC name of 2-chloro-6-(2-methylpropoxy)benzoic acid (CID 19005159) is 2-chloro-6-(2-methylpropoxy)benzoic acid.
What is the SMILES notation for 2-chloro-6-(2-methylpropoxy)benzoic acid?
The canonical SMILES for 2-chloro-6-(2-methylpropoxy)benzoic acid is CC(C)COc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-(2-methylpropoxy)benzoic acid?
The InChIKey is PTFGKZYJRLRWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7(2)6-15-9-5-3-4-8(12)10(9)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-6-(2-methylpropoxy)benzoic acid?
2-chloro-6-(2-methylpropoxy)benzoic acid has a molecular weight of 228.67 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropoxy)benzoic acid is sourced from PubChem (CID 19005159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).