4-(phenylmethoxymethoxy)benzoic acid

C15H14O4 — CID 102939337

IUPAC4-(phenylmethoxymethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCOCc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c16-15(17)13-6-8-14(9-7-13)19-11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChIKeyJMLITGIMLSRCOT-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.94
Rot. Bonds6

About 4-(phenylmethoxymethoxy)benzoic acid

4-(phenylmethoxymethoxy)benzoic acid (PubChem CID 102939337) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(phenylmethoxymethoxy)benzoic acid.

Molecular Properties

Compound Name4-(phenylmethoxymethoxy)benzoic acid
PubChem CID102939337
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(phenylmethoxymethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCOCc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c16-15(17)13-6-8-14(9-7-13)19-11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChIKeyJMLITGIMLSRCOT-UHFFFAOYSA-N
XLogP2.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
4-methyl-3-(phenylmethoxymethoxy)benzoic acid
CID 102939348
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-phenylmethoxybenzoyl fluoride
CID 154719359
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
methyl 3-(phenylmethoxymethoxy)benzoate
CID 175253615
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
CID 21110216

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethoxy)benzoic acid?
The IUPAC name of 4-(phenylmethoxymethoxy)benzoic acid (CID 102939337) is 4-(phenylmethoxymethoxy)benzoic acid.
What is the SMILES notation for 4-(phenylmethoxymethoxy)benzoic acid?
The canonical SMILES for 4-(phenylmethoxymethoxy)benzoic acid is O=C(O)c1ccc(OCOCc2ccccc2)cc1.
What is the InChIKey of 4-(phenylmethoxymethoxy)benzoic acid?
The InChIKey is JMLITGIMLSRCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-15(17)13-6-8-14(9-7-13)19-11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17).
What are the key properties of 4-(phenylmethoxymethoxy)benzoic acid?
4-(phenylmethoxymethoxy)benzoic acid has a molecular weight of 258.27 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethoxy)benzoic acid is sourced from PubChem (CID 102939337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).