4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid

C10H8Cl2O3 — CID 60676432

IUPAC4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCC=CCl
InChIInChI=1S/C10H8Cl2O3/c11-4-1-5-15-9-6-7(12)2-3-8(9)10(13)14/h1-4,6H,5H2,(H,13,14)
InChIKeyKQWXWTYXOLDRHD-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.17
Rot. Bonds4

About 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid

4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid (PubChem CID 60676432) has the molecular formula C10H8Cl2O3 and a molecular weight of 247.08 g/mol. Its IUPAC name is 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid
PubChem CID60676432
Molecular FormulaC10H8Cl2O3
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Name4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCC=CCl
InChIInChI=1S/C10H8Cl2O3/c11-4-1-5-15-9-6-7(12)2-3-8(9)10(13)14/h1-4,6H,5H2,(H,13,14)
InChIKeyKQWXWTYXOLDRHD-UHFFFAOYSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61379733
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4-chloro-2-(2-phenylethoxy)benzoic acid
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4-chloro-2-(2,3-dihydroxypropoxy)benzoic acid
CID 82842018
2-[(E)-3-chloroprop-2-enoxy]-5-chlorosulfonylbenzoic acid
CID 82910318
4-chloro-2-hept-6-enoxybenzoic acid
CID 107005942
1-(2-but-2-enoxy-4-chlorophenyl)butan-1-one
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4-chloro-2-methylsulfonyloxybenzoic acid
CID 18977944
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid?
The IUPAC name of 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid (CID 60676432) is 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid.
What is the SMILES notation for 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid?
The canonical SMILES for 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid is O=C(O)c1ccc(Cl)cc1OCC=CCl.
What is the InChIKey of 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid?
The InChIKey is KQWXWTYXOLDRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O3/c11-4-1-5-15-9-6-7(12)2-3-8(9)10(13)14/h1-4,6H,5H2,(H,13,14).
What are the key properties of 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid?
4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid has a molecular weight of 247.08 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid is sourced from PubChem (CID 60676432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).