1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol

C17H18FNO5 — CID 109415518

IUPAC1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol
SMILESCc1ccc([N+](=O)[O-])c(OCC(O)COCc2ccccc2F)c1
InChIInChI=1S/C17H18FNO5/c1-12-6-7-16(19(21)22)17(8-12)24-11-14(20)10-23-9-13-4-2-3-5-15(13)18/h2-8,14,20H,9-11H2,1H3
InChIKeyDGUXNKNFLFKUPY-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.00
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol (PubChem CID 109415518) has the molecular formula C17H18FNO5 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol
PubChem CID109415518
Molecular FormulaC17H18FNO5
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol
SMILESCc1ccc([N+](=O)[O-])c(OCC(O)COCc2ccccc2F)c1
InChIInChI=1S/C17H18FNO5/c1-12-6-7-16(19(21)22)17(8-12)24-11-14(20)10-23-9-13-4-2-3-5-15(13)18/h2-8,14,20H,9-11H2,1H3
InChIKeyDGUXNKNFLFKUPY-UHFFFAOYSA-N
XLogP3.00
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.00
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-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
CID 109414144
1-amino-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 24701939
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
CID 112842745
tert-butyl-[(2R)-2-hydroxy-3-(5-methyl-2-nitrophenoxy)propyl]azanium
CID 7377792
1-(4-fluoro-2-nitrophenoxy)-3-phenylmethoxypropan-2-ol
CID 109415788
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-6-methylquinazolin-4-one
CID 47053300
1-(2-fluoro-6-methoxyphenoxy)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 109416030
2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243449
2-fluoro-6-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243450
(2S)-1-[(2-fluorophenyl)methoxy]-3-(N,2,4-trimethylanilino)propan-2-ol
CID 51964301

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol (CID 109415518) is 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol is Cc1ccc([N+](=O)[O-])c(OCC(O)COCc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol?
The InChIKey is DGUXNKNFLFKUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5/c1-12-6-7-16(19(21)22)17(8-12)24-11-14(20)10-23-9-13-4-2-3-5-15(13)18/h2-8,14,20H,9-11H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol has a molecular weight of 335.33 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 109415518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).