[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol

C14H11F2NO4 — CID 82917501

IUPAC[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO4/c15-11-3-1-10(5-12(11)16)8-21-14-4-2-9(7-18)6-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyCOZYJVOCQFKAQH-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.94
Rot. Bonds5

About [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol

[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol (PubChem CID 82917501) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
PubChem CID82917501
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO4/c15-11-3-1-10(5-12(11)16)8-21-14-4-2-9(7-18)6-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyCOZYJVOCQFKAQH-UHFFFAOYSA-N
XLogP2.94
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.94
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

[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanamine
CID 82918133
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
1-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-2-fluorobenzene
CID 107882569
2-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-1-fluorobenzene
CID 103038450
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-nitrobenzonitrile
CID 115969402
[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 102881576
[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 105404143
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol (CID 82917501) is [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol is O=[N+]([O-])c1cc(CO)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol?
The InChIKey is COZYJVOCQFKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c15-11-3-1-10(5-12(11)16)8-21-14-4-2-9(7-18)6-13(14)17(19)20/h1-6,18H,7-8H2.
What are the key properties of [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol?
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol has a molecular weight of 295.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 82917501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).