2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid

C14H9Cl2FO3 — CID 106500788

IUPAC2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2cccc(Cl)c2F)ccc1Cl
InChIInChI=1S/C14H9Cl2FO3/c15-11-5-4-9(6-10(11)14(18)19)20-7-8-2-1-3-12(16)13(8)17/h1-6H,7H2,(H,18,19)
InChIKeyYLKGOTKPUWHOBL-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.41
Rot. Bonds4

About 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid

2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid (PubChem CID 106500788) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
PubChem CID106500788
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2cccc(Cl)c2F)ccc1Cl
InChIInChI=1S/C14H9Cl2FO3/c15-11-5-4-9(6-10(11)14(18)19)20-7-8-2-1-3-12(16)13(8)17/h1-6H,7H2,(H,18,19)
InChIKeyYLKGOTKPUWHOBL-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
CID 106500786
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102855411
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 102855973
7-[(3-chloro-2-fluorophenyl)methoxy]naphthalen-2-ol
CID 102856423
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid (CID 106500788) is 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid is O=C(O)c1cc(OCc2cccc(Cl)c2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid?
The InChIKey is YLKGOTKPUWHOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-11-5-4-9(6-10(11)14(18)19)20-7-8-2-1-3-12(16)13(8)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid?
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid has a molecular weight of 315.13 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 106500788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).