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

C11H14FNO4 — CID 117359252

IUPAC2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol
SMILESCOc1c(F)cc([N+](=O)[O-])cc1C(C)(C)CO
InChIInChI=1S/C11H14FNO4/c1-11(2,6-14)8-4-7(13(15)16)5-9(12)10(8)17-3/h4-5,14H,6H2,1-3H3
InChIKeyKMHAZGFAQVFLMU-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.01
Rot. Bonds4

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

2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol (PubChem CID 117359252) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol
PubChem CID117359252
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol
SMILESCOc1c(F)cc([N+](=O)[O-])cc1C(C)(C)CO
InChIInChI=1S/C11H14FNO4/c1-11(2,6-14)8-4-7(13(15)16)5-9(12)10(8)17-3/h4-5,14H,6H2,1-3H3
InChIKeyKMHAZGFAQVFLMU-UHFFFAOYSA-N
XLogP2.01
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.01
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
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
CID 117329910
2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117362497
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol
CID 117329841
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-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
3-amino-3-(3-fluoro-2-methoxy-5-nitrophenyl)propanoic acid
CID 117398663

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol (CID 117359252) is 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol is COc1c(F)cc([N+](=O)[O-])cc1C(C)(C)CO.
What is the InChIKey of 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol?
The InChIKey is KMHAZGFAQVFLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-11(2,6-14)8-4-7(13(15)16)5-9(12)10(8)17-3/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol?
2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol has a molecular weight of 243.23 g/mol, XLogP of 2.01, 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)-2-methylpropan-1-ol is sourced from PubChem (CID 117359252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).