1-benzofuran-4-amine;1-benzofuran-4-ol

C16H13NO3 — CID 158607409

IUPAC1-benzofuran-4-amine;1-benzofuran-4-ol
SMILESNc1cccc2occc12.Oc1cccc2occc12
InChIInChI=1S/C8H7NO.C8H6O2/c2*9-7-2-1-3-8-6(7)4-5-10-8/h1-5H,9H2;1-5,9H
InChIKeyHWKDTSZVQRFWFG-UHFFFAOYSA-N
MW267.28 g/mol
LogP4.15
Rot. Bonds

About 1-benzofuran-4-amine;1-benzofuran-4-ol

1-benzofuran-4-amine;1-benzofuran-4-ol (PubChem CID 158607409) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-benzofuran-4-amine;1-benzofuran-4-ol.

Molecular Properties

Compound Name1-benzofuran-4-amine;1-benzofuran-4-ol
PubChem CID158607409
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-benzofuran-4-amine;1-benzofuran-4-ol
SMILESNc1cccc2occc12.Oc1cccc2occc12
InChIInChI=1S/C8H7NO.C8H6O2/c2*9-7-2-1-3-8-6(7)4-5-10-8/h1-5H,9H2;1-5,9H
InChIKeyHWKDTSZVQRFWFG-UHFFFAOYSA-N
XLogP4.15
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 54.15
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 1-benzofuran-4-amine;1-benzofuran-4-ol?
The IUPAC name of 1-benzofuran-4-amine;1-benzofuran-4-ol (CID 158607409) is 1-benzofuran-4-amine;1-benzofuran-4-ol.
What is the SMILES notation for 1-benzofuran-4-amine;1-benzofuran-4-ol?
The canonical SMILES for 1-benzofuran-4-amine;1-benzofuran-4-ol is Nc1cccc2occc12.Oc1cccc2occc12.
What is the InChIKey of 1-benzofuran-4-amine;1-benzofuran-4-ol?
The InChIKey is HWKDTSZVQRFWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C8H6O2/c2*9-7-2-1-3-8-6(7)4-5-10-8/h1-5H,9H2;1-5,9H.
What are the key properties of 1-benzofuran-4-amine;1-benzofuran-4-ol?
1-benzofuran-4-amine;1-benzofuran-4-ol has a molecular weight of 267.28 g/mol, XLogP of 4.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-4-amine;1-benzofuran-4-ol is sourced from PubChem (CID 158607409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).