[5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol

C13H15NO3 — CID 6462361

IUPAC[5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol
SMILESCCOc1ccc(-c2ccc(CO)o2)cc1N
InChIInChI=1S/C13H15NO3/c1-2-16-13-5-3-9(7-11(13)14)12-6-4-10(8-15)17-12/h3-7,15H,2,8,14H2,1H3
InChIKeyYXYWXQFOEXAMRV-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.42
Rot. Bonds4

About [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol

[5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol (PubChem CID 6462361) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol
PubChem CID6462361
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol
SMILESCCOc1ccc(-c2ccc(CO)o2)cc1N
InChIInChI=1S/C13H15NO3/c1-2-16-13-5-3-9(7-11(13)14)12-6-4-10(8-15)17-12/h3-7,15H,2,8,14H2,1H3
InChIKeyYXYWXQFOEXAMRV-UHFFFAOYSA-N
XLogP2.42
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol?
The IUPAC name of [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol (CID 6462361) is [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol?
The canonical SMILES for [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol is CCOc1ccc(-c2ccc(CO)o2)cc1N.
What is the InChIKey of [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol?
The InChIKey is YXYWXQFOEXAMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-16-13-5-3-9(7-11(13)14)12-6-4-10(8-15)17-12/h3-7,15H,2,8,14H2,1H3.
What are the key properties of [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol?
[5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-amino-4-ethoxyphenyl)furan-2-yl]methanol is sourced from PubChem (CID 6462361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).