4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid

C13H11FO4S — CID 66437759

IUPAC4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(COc2csc(C(=O)O)c2)cc1F
InChIInChI=1S/C13H11FO4S/c1-17-11-3-2-8(4-10(11)14)6-18-9-5-12(13(15)16)19-7-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyXQFQVASCBFCYNI-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.17
Rot. Bonds5

About 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid

4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66437759) has the molecular formula C13H11FO4S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID66437759
Molecular FormulaC13H11FO4S
Molecular Weight282.29 g/mol
Exact Mass282.04
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(COc2csc(C(=O)O)c2)cc1F
InChIInChI=1S/C13H11FO4S/c1-17-11-3-2-8(4-10(11)14)6-18-9-5-12(13(15)16)19-7-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyXQFQVASCBFCYNI-UHFFFAOYSA-N
XLogP3.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66438880
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
CID 7717780
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 60651653
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid (CID 66437759) is 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid is COc1ccc(COc2csc(C(=O)O)c2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is XQFQVASCBFCYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO4S/c1-17-11-3-2-8(4-10(11)14)6-18-9-5-12(13(15)16)19-7-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 282.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).