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

C15H12ClFO4 — CID 106500786

IUPAC2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(Cl)c(C(=O)O)c2)c1F
InChIInChI=1S/C15H12ClFO4/c1-20-13-4-2-3-9(14(13)17)8-21-10-5-6-12(16)11(7-10)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyMDRDSTUDZBAPHJ-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.76
Rot. Bonds5

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

2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid (PubChem CID 106500786) has the molecular formula C15H12ClFO4 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
PubChem CID106500786
Molecular FormulaC15H12ClFO4
Molecular Weight310.71 g/mol
Exact Mass310.04
IUPAC Name2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(Cl)c(C(=O)O)c2)c1F
InChIInChI=1S/C15H12ClFO4/c1-20-13-4-2-3-9(14(13)17)8-21-10-5-6-12(16)11(7-10)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyMDRDSTUDZBAPHJ-UHFFFAOYSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid (CID 106500786) is 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid is COc1cccc(COc2ccc(Cl)c(C(=O)O)c2)c1F.
What is the InChIKey of 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is MDRDSTUDZBAPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO4/c1-20-13-4-2-3-9(14(13)17)8-21-10-5-6-12(16)11(7-10)15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid?
2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid has a molecular weight of 310.71 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 106500786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).