2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid

C16H14O5 — CID 70197769

IUPAC2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
SMILESCOC(=O)c1ccccc1OCc1ccccc1C(=O)O
InChIInChI=1S/C16H14O5/c1-20-16(19)13-8-4-5-9-14(13)21-10-11-6-2-3-7-12(11)15(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRRAJXYVURNPPGR-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid

2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid (PubChem CID 70197769) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
PubChem CID70197769
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
SMILESCOC(=O)c1ccccc1OCc1ccccc1C(=O)O
InChIInChI=1S/C16H14O5/c1-20-16(19)13-8-4-5-9-14(13)21-10-11-6-2-3-7-12(11)15(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRRAJXYVURNPPGR-UHFFFAOYSA-N
XLogP2.75
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
2-[(3-bromophenoxy)methyl]benzoic acid;methyl 2-[(3-bromophenoxy)methyl]benzoate
CID 67878013
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid?
The IUPAC name of 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid (CID 70197769) is 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid?
The canonical SMILES for 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid is COC(=O)c1ccccc1OCc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid?
The InChIKey is RRAJXYVURNPPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-16(19)13-8-4-5-9-14(13)21-10-11-6-2-3-7-12(11)15(17)18/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid?
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 70197769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).