2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid

C22H18O6 — CID 71356398

IUPAC2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1cccc(COc2ccccc2C(=O)O)c1
InChIInChI=1S/C22H18O6/c23-21(24)17-8-1-3-10-19(17)27-13-15-6-5-7-16(12-15)14-28-20-11-4-2-9-18(20)22(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26)
InChIKeyJMUJWXDOZURVFS-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.24
Rot. Bonds8

About 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid

2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid (PubChem CID 71356398) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
PubChem CID71356398
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1cccc(COc2ccccc2C(=O)O)c1
InChIInChI=1S/C22H18O6/c23-21(24)17-8-1-3-10-19(17)27-13-15-6-5-7-16(12-15)14-28-20-11-4-2-9-18(20)22(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26)
InChIKeyJMUJWXDOZURVFS-UHFFFAOYSA-N
XLogP4.24
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid
CID 174452504
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973
2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-phenylmethoxybenzoyl chloride
CID 10999355

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid?
The IUPAC name of 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid (CID 71356398) is 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid?
The canonical SMILES for 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid is O=C(O)c1ccccc1OCc1cccc(COc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid?
The InChIKey is JMUJWXDOZURVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c23-21(24)17-8-1-3-10-19(17)27-13-15-6-5-7-16(12-15)14-28-20-11-4-2-9-18(20)22(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26).
What are the key properties of 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid?
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid has a molecular weight of 378.38 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid is sourced from PubChem (CID 71356398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).