[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol

C14H11ClFNO4 — CID 62116426

IUPAC[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNO4/c15-11-2-1-3-12(16)10(11)8-21-14-6-9(7-18)4-5-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyPNGBKANPEZBWLP-UHFFFAOYSA-N
MW311.70 g/mol
LogP3.46
Rot. Bonds5

About [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol

[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol (PubChem CID 62116426) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol
PubChem CID62116426
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNO4/c15-11-2-1-3-12(16)10(11)8-21-14-6-9(7-18)4-5-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyPNGBKANPEZBWLP-UHFFFAOYSA-N
XLogP3.46
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 53.46
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'}

Analyze [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 114850111
2-[[5-(bromomethyl)-2-nitrophenoxy]methyl]-1,3-difluorobenzene
CID 114930608
[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 105404143
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-nitrobenzene
CID 107691151
[3-[(4-bromophenyl)methoxy]-4-nitrophenyl]methanol
CID 62115919
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-1-chloro-3-nitrobenzene
CID 107691546
[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 61031552
(2-chloro-6-fluorophenyl)methyl 5-chloro-2-nitrobenzoate
CID 2602590
2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-nitrophenyl]methylamino]-3-phenylpropanamide
CID 91310499
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
4-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-1-nitrobenzene
CID 114850357

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol?
The IUPAC name of [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol (CID 62116426) is [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol is O=[N+]([O-])c1ccc(CO)cc1OCc1c(F)cccc1Cl.
What is the InChIKey of [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol?
The InChIKey is PNGBKANPEZBWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c15-11-2-1-3-12(16)10(11)8-21-14-6-9(7-18)4-5-13(14)17(19)20/h1-6,18H,7-8H2.
What are the key properties of [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol?
[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol has a molecular weight of 311.70 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol is sourced from PubChem (CID 62116426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).