[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol

C12H11NO5 — CID 931889

IUPAC[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol
SMILESCOc1ccc(-c2ccc(CO)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11NO5/c1-17-12-4-2-8(6-10(12)13(15)16)11-5-3-9(7-14)18-11/h2-6,14H,7H2,1H3
InChIKeyYEJIHWDJMJROGQ-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.36
Rot. Bonds4

About [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol

[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol (PubChem CID 931889) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol
PubChem CID931889
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol
SMILESCOc1ccc(-c2ccc(CO)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11NO5/c1-17-12-4-2-8(6-10(12)13(15)16)11-5-3-9(7-14)18-11/h2-6,14H,7H2,1H3
InChIKeyYEJIHWDJMJROGQ-UHFFFAOYSA-N
XLogP2.36
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol?
The IUPAC name of [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol (CID 931889) is [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol?
The canonical SMILES for [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol is COc1ccc(-c2ccc(CO)o2)cc1[N+](=O)[O-].
What is the InChIKey of [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol?
The InChIKey is YEJIHWDJMJROGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-17-12-4-2-8(6-10(12)13(15)16)11-5-3-9(7-14)18-11/h2-6,14H,7H2,1H3.
What are the key properties of [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol?
[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol has a molecular weight of 249.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-3-nitrophenyl)furan-2-yl]methanol is sourced from PubChem (CID 931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).