3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid

C19H15FO4 — CID 172705932

IUPAC3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1cc(COc2ccc(-c3ccc(F)cc3)cc2)c(C(=O)O)o1
InChIInChI=1S/C19H15FO4/c1-12-10-15(18(24-12)19(21)22)11-23-17-8-4-14(5-9-17)13-2-6-16(20)7-3-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyDOXPMECXPIPLLW-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.67
Rot. Bonds5

About 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid

3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 172705932) has the molecular formula C19H15FO4 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID172705932
Molecular FormulaC19H15FO4
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1cc(COc2ccc(-c3ccc(F)cc3)cc2)c(C(=O)O)o1
InChIInChI=1S/C19H15FO4/c1-12-10-15(18(24-12)19(21)22)11-23-17-8-4-14(5-9-17)13-2-6-16(20)7-3-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyDOXPMECXPIPLLW-UHFFFAOYSA-N
XLogP4.67
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
CID 28943189
6-(4-chlorophenyl)-3-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 59335782
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid
CID 18444588
[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate
CID 69145077
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid (CID 172705932) is 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid is Cc1cc(COc2ccc(-c3ccc(F)cc3)cc2)c(C(=O)O)o1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is DOXPMECXPIPLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4/c1-12-10-15(18(24-12)19(21)22)11-23-17-8-4-14(5-9-17)13-2-6-16(20)7-3-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid?
3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 326.32 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 172705932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).