[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol

C15H14FNO4 — CID 107349865

IUPAC[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
SMILESCc1ccc(OCc2cccc([N+](=O)[O-])c2F)c(CO)c1
InChIInChI=1S/C15H14FNO4/c1-10-5-6-14(12(7-10)8-18)21-9-11-3-2-4-13(15(11)16)17(19)20/h2-7,18H,8-9H2,1H3
InChIKeyDAAHDGWRJMDTKF-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.11
Rot. Bonds5

About [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol

[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol (PubChem CID 107349865) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
PubChem CID107349865
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
SMILESCc1ccc(OCc2cccc([N+](=O)[O-])c2F)c(CO)c1
InChIInChI=1S/C15H14FNO4/c1-10-5-6-14(12(7-10)8-18)21-9-11-3-2-4-13(15(11)16)17(19)20/h2-7,18H,8-9H2,1H3
InChIKeyDAAHDGWRJMDTKF-UHFFFAOYSA-N
XLogP3.11
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.11
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

2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349922
2-(bromomethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349923
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349917
2-[(2-fluoro-5-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352413
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol?
The IUPAC name of [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol (CID 107349865) is [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol.
What is the SMILES notation for [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol?
The canonical SMILES for [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol is Cc1ccc(OCc2cccc([N+](=O)[O-])c2F)c(CO)c1.
What is the InChIKey of [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol?
The InChIKey is DAAHDGWRJMDTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-10-5-6-14(12(7-10)8-18)21-9-11-3-2-4-13(15(11)16)17(19)20/h2-7,18H,8-9H2,1H3.
What are the key properties of [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol?
[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol has a molecular weight of 291.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol is sourced from PubChem (CID 107349865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).