2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid

C14H9ClF2O3 — CID 106500553

IUPAC2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C14H9ClF2O3/c15-11-5-4-8(6-9(11)14(18)19)20-7-10-12(16)2-1-3-13(10)17/h1-6H,7H2,(H,18,19)
InChIKeyXMEPRYUHTAKEDI-UHFFFAOYSA-N
MW298.67 g/mol
LogP3.90
Rot. Bonds4

About 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid

2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid (PubChem CID 106500553) has the molecular formula C14H9ClF2O3 and a molecular weight of 298.67 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
PubChem CID106500553
Molecular FormulaC14H9ClF2O3
Molecular Weight298.67 g/mol
Exact Mass298.02
IUPAC Name2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C14H9ClF2O3/c15-11-5-4-8(6-9(11)14(18)19)20-7-10-12(16)2-1-3-13(10)17/h1-6H,7H2,(H,18,19)
InChIKeyXMEPRYUHTAKEDI-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.67
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
3-fluoro-2-(phenoxymethyl)benzoic acid
CID 67133785
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
CID 106500786
2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
CID 106500475
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
5-(3-aminopropoxy)-2-chlorobenzoic acid
CID 106500800
2-[(3,4-dichlorophenoxy)methyl]-3-fluoroaniline
CID 63331345

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid (CID 106500553) is 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid is O=C(O)c1cc(OCc2c(F)cccc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid?
The InChIKey is XMEPRYUHTAKEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O3/c15-11-5-4-8(6-9(11)14(18)19)20-7-10-12(16)2-1-3-13(10)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid?
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid has a molecular weight of 298.67 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 106500553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).