3-[(2-methoxyphenoxy)methyl]benzoic acid

C15H14O4 — CID 890775

IUPAC3-[(2-methoxyphenoxy)methyl]benzoic acid
SMILESCOc1ccccc1OCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H14O4/c1-18-13-7-2-3-8-14(13)19-10-11-5-4-6-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyICGYAYVVXSSTEK-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.97
Rot. Bonds5

About 3-[(2-methoxyphenoxy)methyl]benzoic acid

3-[(2-methoxyphenoxy)methyl]benzoic acid (PubChem CID 890775) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[(2-methoxyphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-methoxyphenoxy)methyl]benzoic acid
PubChem CID890775
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-[(2-methoxyphenoxy)methyl]benzoic acid
SMILESCOc1ccccc1OCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H14O4/c1-18-13-7-2-3-8-14(13)19-10-11-5-4-6-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyICGYAYVVXSSTEK-UHFFFAOYSA-N
XLogP2.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001
3-[(2-cyanophenoxy)methyl]benzoic acid
CID 24708246
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752
3-[(3-cyanophenyl)methoxy]-4-methoxybenzoic acid
CID 24695620
3-[(4-acetyl-3-methoxyphenoxy)methyl]benzoic acid
CID 91863937
3-[(2-methoxyanilino)methyl]benzoic acid
CID 75357537
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
[3-[(2-methoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325253
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
4-methoxy-3-phenylmethoxybenzamide
CID 22467475

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenoxy)methyl]benzoic acid?
The IUPAC name of 3-[(2-methoxyphenoxy)methyl]benzoic acid (CID 890775) is 3-[(2-methoxyphenoxy)methyl]benzoic acid.
What is the SMILES notation for 3-[(2-methoxyphenoxy)methyl]benzoic acid?
The canonical SMILES for 3-[(2-methoxyphenoxy)methyl]benzoic acid is COc1ccccc1OCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methoxyphenoxy)methyl]benzoic acid?
The InChIKey is ICGYAYVVXSSTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-13-7-2-3-8-14(13)19-10-11-5-4-6-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 3-[(2-methoxyphenoxy)methyl]benzoic acid?
3-[(2-methoxyphenoxy)methyl]benzoic acid has a molecular weight of 258.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenoxy)methyl]benzoic acid is sourced from PubChem (CID 890775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).