1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol

C11H14FNO5 — CID 63600107

IUPAC1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1cc(OC)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FNO5/c1-17-6-8(14)3-7-4-11(18-2)9(12)5-10(7)13(15)16/h4-5,8,14H,3,6H2,1-2H3
InChIKeyBKFOZQOWRRXIAT-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.29
Rot. Bonds6

About 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol

1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol (PubChem CID 63600107) has the molecular formula C11H14FNO5 and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol
PubChem CID63600107
Molecular FormulaC11H14FNO5
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1cc(OC)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FNO5/c1-17-6-8(14)3-7-4-11(18-2)9(12)5-10(7)13(15)16/h4-5,8,14H,3,6H2,1-2H3
InChIKeyBKFOZQOWRRXIAT-UHFFFAOYSA-N
XLogP1.29
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.29
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

1-(4,5-dimethoxy-2-nitrophenyl)-4-methylpentan-2-ol
CID 83008622
1-(2-fluoro-5-methoxy-4-nitroanilino)-3-methoxypropan-2-ol
CID 103867519
2-(4-fluoro-5-methoxy-2-nitroanilino)-3-methoxypropanoic acid
CID 81078496
2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
CID 63598346
1-methoxy-3-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)propan-2-ol
CID 63200652
3-(4-fluoro-5-methoxy-2-nitrophenyl)butan-2-ol
CID 55217035
3-(4-fluoro-5-methoxy-2-nitrophenyl)sulfanylpropan-1-ol
CID 66115176
4-(4-fluoro-5-methyl-2-nitroanilino)-1-methoxybutan-2-ol
CID 106248139
1-(2-chloroethylsulfanyl)-4-fluoro-5-methoxy-2-nitrobenzene
CID 63598332
2-[4-fluoro-5-methoxy-N-(2-methoxyethyl)-2-nitroanilino]acetic acid
CID 63598675
1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
CID 131610488
N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 104699298

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol (CID 63600107) is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol is COCC(O)Cc1cc(OC)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol?
The InChIKey is BKFOZQOWRRXIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5/c1-17-6-8(14)3-7-4-11(18-2)9(12)5-10(7)13(15)16/h4-5,8,14H,3,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol?
1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol has a molecular weight of 259.23 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-methoxypropan-2-ol is sourced from PubChem (CID 63600107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).