(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol

C12H9F2NO5 — CID 61099625

IUPAC(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
SMILESCOc1cc(F)c(C(O)c2ccc([N+](=O)[O-])o2)c(F)c1
InChIInChI=1S/C12H9F2NO5/c1-19-6-4-7(13)11(8(14)5-6)12(16)9-2-3-10(20-9)15(17)18/h2-5,12,16H,1H3
InChIKeyURMXXUHYSWKNJI-UHFFFAOYSA-N
MW285.20 g/mol
LogP2.56
Rot. Bonds4

About (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol

(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol (PubChem CID 61099625) has the molecular formula C12H9F2NO5 and a molecular weight of 285.20 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
PubChem CID61099625
Molecular FormulaC12H9F2NO5
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
SMILESCOc1cc(F)c(C(O)c2ccc([N+](=O)[O-])o2)c(F)c1
InChIInChI=1S/C12H9F2NO5/c1-19-6-4-7(13)11(8(14)5-6)12(16)9-2-3-10(20-9)15(17)18/h2-5,12,16H,1H3
InChIKeyURMXXUHYSWKNJI-UHFFFAOYSA-N
XLogP2.56
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 52.56
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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Related Compounds

(2,4-dimethoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 61087514
2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-5-nitrofuran
CID 61084065
(5-nitrofuran-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 61087360
(5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 104546223
(3-bromo-5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 61101709
2-(1-methoxyethyl)-5-nitrofuran
CID 145237926
(2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol
CID 61099275
2-[bromo-(2,4-dimethoxyphenyl)methyl]-5-nitrofuran
CID 61095917
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-5-nitrofuran
CID 61098807
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61101677
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-5-nitrofuran
CID 61095986
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol (CID 61099625) is (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol is COc1cc(F)c(C(O)c2ccc([N+](=O)[O-])o2)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol?
The InChIKey is URMXXUHYSWKNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO5/c1-19-6-4-7(13)11(8(14)5-6)12(16)9-2-3-10(20-9)15(17)18/h2-5,12,16H,1H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol?
(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol has a molecular weight of 285.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol is sourced from PubChem (CID 61099625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).