5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid

C15H13FO4 — CID 16754043

IUPAC5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
SMILESCOc1cc(OCc2ccccc2)c(F)cc1C(=O)O
InChIInChI=1S/C15H13FO4/c1-19-13-8-14(12(16)7-11(13)15(17)18)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeySHNVHYNXWIRJDZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.11
Rot. Bonds5

About 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid

5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid (PubChem CID 16754043) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
PubChem CID16754043
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
SMILESCOc1cc(OCc2ccccc2)c(F)cc1C(=O)O
InChIInChI=1S/C15H13FO4/c1-19-13-8-14(12(16)7-11(13)15(17)18)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeySHNVHYNXWIRJDZ-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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Related Compounds

2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid?
The IUPAC name of 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid (CID 16754043) is 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid.
What is the SMILES notation for 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid?
The canonical SMILES for 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid is COc1cc(OCc2ccccc2)c(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid?
The InChIKey is SHNVHYNXWIRJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-13-8-14(12(16)7-11(13)15(17)18)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid?
5-fluoro-2-methoxy-4-phenylmethoxybenzoic 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 5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid is sourced from PubChem (CID 16754043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).