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

C10H12FNO4 — CID 117329841

IUPAC1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol
SMILESCOc1c(F)cc([N+](=O)[O-])cc1CC(C)O
InChIInChI=1S/C10H12FNO4/c1-6(13)3-7-4-8(12(14)15)5-9(11)10(7)16-2/h4-6,13H,3H2,1-2H3
InChIKeyUUOWCJOGGZWKOU-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.67
Rot. Bonds4

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

1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol (PubChem CID 117329841) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol
PubChem CID117329841
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol
SMILESCOc1c(F)cc([N+](=O)[O-])cc1CC(C)O
InChIInChI=1S/C10H12FNO4/c1-6(13)3-7-4-8(12(14)15)5-9(11)10(7)16-2/h4-6,13H,3H2,1-2H3
InChIKeyUUOWCJOGGZWKOU-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
CID 117307657
1-(2-fluoro-4-nitrophenyl)propan-2-ol
CID 63201423
2-(3-fluoro-2-methoxy-5-nitrophenyl)acetonitrile
CID 117299777
2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
CID 117329910
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol
CID 117359252
3-amino-3-(3-fluoro-2-methoxy-5-nitrophenyl)propanoic acid
CID 117398663
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
CID 117410056
1-(3-fluoro-2-methoxy-5-nitrophenyl)-2-(methylamino)ethanone
CID 117357062
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol (CID 117329841) is 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol is COc1c(F)cc([N+](=O)[O-])cc1CC(C)O.
What is the InChIKey of 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol?
The InChIKey is UUOWCJOGGZWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-6(13)3-7-4-8(12(14)15)5-9(11)10(7)16-2/h4-6,13H,3H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol?
1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol has a molecular weight of 229.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol is sourced from PubChem (CID 117329841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).