4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid

C15H13FO4 — CID 6463126

IUPAC4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1cccc(F)c1
InChIInChI=1S/C15H13FO4/c1-19-14-8-11(15(17)18)5-6-13(14)20-9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeySPVHEXMEEOBABP-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.11
Rot. Bonds5

About 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid

4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid (PubChem CID 6463126) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid
PubChem CID6463126
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1cccc(F)c1
InChIInChI=1S/C15H13FO4/c1-19-14-8-11(15(17)18)5-6-13(14)20-9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeySPVHEXMEEOBABP-UHFFFAOYSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid (CID 6463126) is 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1OCc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The InChIKey is SPVHEXMEEOBABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-14-8-11(15(17)18)5-6-13(14)20-9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid?
4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid has a molecular weight of 276.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 6463126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).