2-chloro-6-propan-2-yloxybenzoic acid

C10H11ClO3 — CID 28604889

IUPAC2-chloro-6-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C10H11ClO3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6H,1-2H3,(H,12,13)
InChIKeyPUPYKSOMZZFDHF-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-6-propan-2-yloxybenzoic acid

2-chloro-6-propan-2-yloxybenzoic acid (PubChem CID 28604889) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-6-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-chloro-6-propan-2-yloxybenzoic acid
PubChem CID28604889
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-chloro-6-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C10H11ClO3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6H,1-2H3,(H,12,13)
InChIKeyPUPYKSOMZZFDHF-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 114320340
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 63648866
CID 11251659
CID 11251659
2-(4-butan-2-ylphenoxy)-6-chlorobenzoic acid
CID 107665757
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
2-chloro-6-(ethoxymethoxy)benzoic acid
CID 114320348
propan-2-yl 2,6-dichlorobenzoate
CID 22149751
CID 70016005
CID 70016005
4-(2,6-dichlorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79415015
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-chloro-6-(2,5-dimethylphenoxy)benzoic acid
CID 29037319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-yloxybenzoic acid?
The IUPAC name of 2-chloro-6-propan-2-yloxybenzoic acid (CID 28604889) is 2-chloro-6-propan-2-yloxybenzoic acid.
What is the SMILES notation for 2-chloro-6-propan-2-yloxybenzoic acid?
The canonical SMILES for 2-chloro-6-propan-2-yloxybenzoic acid is CC(C)Oc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-propan-2-yloxybenzoic acid?
The InChIKey is PUPYKSOMZZFDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-6-propan-2-yloxybenzoic acid?
2-chloro-6-propan-2-yloxybenzoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-yloxybenzoic acid is sourced from PubChem (CID 28604889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).