2-[(2-benzylphenyl)methoxy]benzoic acid

C21H18O3 — CID 22362973

IUPAC2-[(2-benzylphenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H18O3/c22-21(23)19-12-6-7-13-20(19)24-15-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,23)
InChIKeyJTWKYDAOLUGCEZ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.55
Rot. Bonds6

About 2-[(2-benzylphenyl)methoxy]benzoic acid

2-[(2-benzylphenyl)methoxy]benzoic acid (PubChem CID 22362973) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(2-benzylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(2-benzylphenyl)methoxy]benzoic acid
PubChem CID22362973
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name2-[(2-benzylphenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H18O3/c22-21(23)19-12-6-7-13-20(19)24-15-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,23)
InChIKeyJTWKYDAOLUGCEZ-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-[(2-pentylphenyl)methoxy]benzoic acid
CID 67780957
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylphenyl)methoxy]benzoic acid?
The IUPAC name of 2-[(2-benzylphenyl)methoxy]benzoic acid (CID 22362973) is 2-[(2-benzylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(2-benzylphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-[(2-benzylphenyl)methoxy]benzoic acid is O=C(O)c1ccccc1OCc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-[(2-benzylphenyl)methoxy]benzoic acid?
The InChIKey is JTWKYDAOLUGCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-21(23)19-12-6-7-13-20(19)24-15-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,23).
What are the key properties of 2-[(2-benzylphenyl)methoxy]benzoic acid?
2-[(2-benzylphenyl)methoxy]benzoic acid has a molecular weight of 318.37 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 22362973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).