1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol

C12H10BrNO4 — CID 106855965

IUPAC1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccccc1CC(O)c1ccoc1Br
InChIInChI=1S/C12H10BrNO4/c13-12-9(5-6-18-12)11(15)7-8-3-1-2-4-10(8)14(16)17/h1-6,11,15H,7H2
InChIKeyIGCQITXMPCTPML-UHFFFAOYSA-N
MW312.12 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol

1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol (PubChem CID 106855965) has the molecular formula C12H10BrNO4 and a molecular weight of 312.12 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol
PubChem CID106855965
Molecular FormulaC12H10BrNO4
Molecular Weight312.12 g/mol
Exact Mass310.98
IUPAC Name1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccccc1CC(O)c1ccoc1Br
InChIInChI=1S/C12H10BrNO4/c13-12-9(5-6-18-12)11(15)7-8-3-1-2-4-10(8)14(16)17/h1-6,11,15H,7H2
InChIKeyIGCQITXMPCTPML-UHFFFAOYSA-N
XLogP3.23
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2-bromo-3-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 107983827
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 82890343
1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 63049499
1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
CID 63017856
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
CID 63017859
1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene
CID 63519874
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan
CID 63017384
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol (CID 106855965) is 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol is O=[N+]([O-])c1ccccc1CC(O)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol?
The InChIKey is IGCQITXMPCTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4/c13-12-9(5-6-18-12)11(15)7-8-3-1-2-4-10(8)14(16)17/h1-6,11,15H,7H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol?
1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol has a molecular weight of 312.12 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol is sourced from PubChem (CID 106855965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).