2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol

C10H12FNO4 — CID 117329910

IUPAC2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
SMILESCOc1c(F)cc([N+](=O)[O-])cc1C(C)CO
InChIInChI=1S/C10H12FNO4/c1-6(5-13)8-3-7(12(14)15)4-9(11)10(8)16-2/h3-4,6,13H,5H2,1-2H3
InChIKeyCQUBHMUCJGCZTP-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.84
Rot. Bonds4

About 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol

2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol (PubChem CID 117329910) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
PubChem CID117329910
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
SMILESCOc1c(F)cc([N+](=O)[O-])cc1C(C)CO
InChIInChI=1S/C10H12FNO4/c1-6(5-13)8-3-7(12(14)15)4-9(11)10(8)16-2/h3-4,6,13H,5H2,1-2H3
InChIKeyCQUBHMUCJGCZTP-UHFFFAOYSA-N
XLogP1.84
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.84
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

1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
3-amino-3-(3-fluoro-2-methoxy-5-nitrophenyl)propanoic acid
CID 117398663
1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol
CID 117329841
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol
CID 117359252
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
2-(1-aminoethyl)-6-fluoro-4-nitrophenol
CID 117289050
2-(2,5-dinitrophenyl)propan-1-ol
CID 22708683
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
CID 117307657
2-(3-fluoro-2-methoxy-5-nitrophenyl)acetonitrile
CID 117299777
1-(3-fluoro-2-methoxy-5-nitrophenyl)-2-(methylamino)ethanone
CID 117357062
2-(2,6-difluoro-N-methyl-4-nitroanilino)propan-1-ol
CID 103847000

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol?
The IUPAC name of 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol (CID 117329910) is 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol.
What is the SMILES notation for 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol?
The canonical SMILES for 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol is COc1c(F)cc([N+](=O)[O-])cc1C(C)CO.
What is the InChIKey of 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol?
The InChIKey is CQUBHMUCJGCZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-6(5-13)8-3-7(12(14)15)4-9(11)10(8)16-2/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol?
2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol has a molecular weight of 229.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol is sourced from PubChem (CID 117329910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).