4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid

C14H8Cl2O4 — CID 58253927

IUPAC4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid
SMILESO=COc1ccc(Cl)cc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H8Cl2O4/c15-8-1-3-10(14(18)19)11(5-8)12-6-9(16)2-4-13(12)20-7-17/h1-7H,(H,18,19)
InChIKeyWSVLJNVXYRTRDC-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid

4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid (PubChem CID 58253927) has the molecular formula C14H8Cl2O4 and a molecular weight of 311.12 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid
PubChem CID58253927
Molecular FormulaC14H8Cl2O4
Molecular Weight311.12 g/mol
Exact Mass309.98
IUPAC Name4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid
SMILESO=COc1ccc(Cl)cc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H8Cl2O4/c15-8-1-3-10(14(18)19)11(5-8)12-6-9(16)2-4-13(12)20-7-17/h1-7H,(H,18,19)
InChIKeyWSVLJNVXYRTRDC-UHFFFAOYSA-N
XLogP3.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-chloro-2-phenylbenzoic acid
CID 11424784
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694
4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
2-formyloxy-4-(methylamino)benzoic acid
CID 174486890
4-[5-chloro-2-(trideuteriomethoxy)phenyl]-6-methylpyridine-3-carboxylic acid
CID 168984872
2-[(2-carboxy-4-chlorophenyl)diselanyl]-5-chlorobenzoic acid
CID 162373271
2-acetyl-5-chlorobenzoic acid
CID 11229391

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid (CID 58253927) is 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid is O=COc1ccc(Cl)cc1-c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid?
The InChIKey is WSVLJNVXYRTRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O4/c15-8-1-3-10(14(18)19)11(5-8)12-6-9(16)2-4-13(12)20-7-17/h1-7H,(H,18,19).
What are the key properties of 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid?
4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid has a molecular weight of 311.12 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid is sourced from PubChem (CID 58253927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).