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

C12H13NO3 — CID 2978982

IUPAC[5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol
SMILESCOc1ccc(-c2ccc(CO)o2)cc1N
InChIInChI=1S/C12H13NO3/c1-15-12-4-2-8(6-10(12)13)11-5-3-9(7-14)16-11/h2-6,14H,7,13H2,1H3
InChIKeyMFISSPNBPYMOEQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.03
Rot. Bonds3

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

[5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol (PubChem CID 2978982) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is [5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol
PubChem CID2978982
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name[5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol
SMILESCOc1ccc(-c2ccc(CO)o2)cc1N
InChIInChI=1S/C12H13NO3/c1-15-12-4-2-8(6-10(12)13)11-5-3-9(7-14)16-11/h2-6,14H,7,13H2,1H3
InChIKeyMFISSPNBPYMOEQ-UHFFFAOYSA-N
XLogP2.03
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.03
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-methoxyphenyl)furan-2-yl]methanol?
The IUPAC name of [5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol (CID 2978982) is [5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol?
The canonical SMILES for [5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol is COc1ccc(-c2ccc(CO)o2)cc1N.
What is the InChIKey of [5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol?
The InChIKey is MFISSPNBPYMOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-12-4-2-8(6-10(12)13)11-5-3-9(7-14)16-11/h2-6,14H,7,13H2,1H3.
What are the key properties of [5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol?
[5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-amino-4-methoxyphenyl)furan-2-yl]methanol is sourced from PubChem (CID 2978982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).