4-[(3-methoxyphenyl)methoxymethyl]benzoic acid

C16H16O4 — CID 24689583

IUPAC4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
SMILESCOc1cccc(COCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H16O4/c1-19-15-4-2-3-13(9-15)11-20-10-12-5-7-14(8-6-12)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyAVAYOSBCJIOVAZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.11
Rot. Bonds6

About 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid

4-[(3-methoxyphenyl)methoxymethyl]benzoic acid (PubChem CID 24689583) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
PubChem CID24689583
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
SMILESCOc1cccc(COCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H16O4/c1-19-15-4-2-3-13(9-15)11-20-10-12-5-7-14(8-6-12)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyAVAYOSBCJIOVAZ-UHFFFAOYSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 102670098
4-[[3-(hydroxymethyl)phenyl]methoxymethyl]benzoic acid
CID 146227717
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689
3-[(4-ethylphenyl)methoxymethyl]benzoic acid
CID 130382133
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 63292655
3-bromo-5-[(3-methoxyphenyl)methoxy]benzoic acid
CID 102823525
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
3-[(3-methoxyphenyl)methoxymethyl]benzenecarbothioamide
CID 24701742
4-[(3-methoxyphenyl)methoxy]-2-methylbut-2-enoic acid
CID 77075874

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid?
The IUPAC name of 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid (CID 24689583) is 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid is COc1cccc(COCc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid?
The InChIKey is AVAYOSBCJIOVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-15-4-2-3-13(9-15)11-20-10-12-5-7-14(8-6-12)16(17)18/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid?
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methoxymethyl]benzoic acid is sourced from PubChem (CID 24689583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).