4-[(2-methoxyphenoxy)methyl]benzoic acid

C15H14O4 — CID 585603

IUPAC4-[(2-methoxyphenoxy)methyl]benzoic acid
SMILESCOc1ccccc1OCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14O4/c1-18-13-4-2-3-5-14(13)19-10-11-6-8-12(9-7-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeySZABCMZDYAYHHS-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.97
Rot. Bonds5

About 4-[(2-methoxyphenoxy)methyl]benzoic acid

4-[(2-methoxyphenoxy)methyl]benzoic acid (PubChem CID 585603) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[(2-methoxyphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenoxy)methyl]benzoic acid
PubChem CID585603
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-[(2-methoxyphenoxy)methyl]benzoic acid
SMILESCOc1ccccc1OCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14O4/c1-18-13-4-2-3-5-14(13)19-10-11-6-8-12(9-7-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeySZABCMZDYAYHHS-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenoxy)methyl]benzoic acid?
The IUPAC name of 4-[(2-methoxyphenoxy)methyl]benzoic acid (CID 585603) is 4-[(2-methoxyphenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-methoxyphenoxy)methyl]benzoic acid?
The canonical SMILES for 4-[(2-methoxyphenoxy)methyl]benzoic acid is COc1ccccc1OCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methoxyphenoxy)methyl]benzoic acid?
The InChIKey is SZABCMZDYAYHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-13-4-2-3-5-14(13)19-10-11-6-8-12(9-7-11)15(16)17/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 4-[(2-methoxyphenoxy)methyl]benzoic acid?
4-[(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 4-[(2-methoxyphenoxy)methyl]benzoic acid is sourced from PubChem (CID 585603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).