5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid

C14H14O5S — CID 63942993

IUPAC5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid
SMILESCOc1ccc(OCCSc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C14H14O5S/c1-17-10-2-4-11(5-3-10)18-8-9-20-13-7-6-12(19-13)14(15)16/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeySZYVDAXYNJVNNG-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.16
Rot. Bonds7

About 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid

5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid (PubChem CID 63942993) has the molecular formula C14H14O5S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid
PubChem CID63942993
Molecular FormulaC14H14O5S
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid
SMILESCOc1ccc(OCCSc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C14H14O5S/c1-17-10-2-4-11(5-3-10)18-8-9-20-13-7-6-12(19-13)14(15)16/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeySZYVDAXYNJVNNG-UHFFFAOYSA-N
XLogP3.16
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-methylphenoxy)ethylsulfanyl]furan-2-carboxylic acid
CID 63941993
5-[2-(3-bromophenoxy)ethylsulfanyl]furan-2-carboxylic acid
CID 63941811
5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
CID 63942556
5-pentylsulfanylfuran-2-carboxylic acid
CID 21162492
5-decylsulfanylfuran-2-carboxylic acid
CID 21327068
5-[2-(4-fluorophenyl)sulfanylethylsulfanyl]furan-2-carboxylic acid
CID 63943546
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
1-[5-(8-phenoxyoctylsulfanyl)furan-2-yl]butan-1-one
CID 22154490
3-[2-(4-methoxyphenyl)sulfanylethoxy]benzoic acid
CID 43532423
3-[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]benzoic acid
CID 23010044
5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]furan-2-carboxylic acid
CID 63943541
5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317279

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid (CID 63942993) is 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid is COc1ccc(OCCSc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid?
The InChIKey is SZYVDAXYNJVNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5S/c1-17-10-2-4-11(5-3-10)18-8-9-20-13-7-6-12(19-13)14(15)16/h2-7H,8-9H2,1H3,(H,15,16).
What are the key properties of 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid?
5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)ethylsulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 63942993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).