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

C14H11ClFNO4 — CID 114850111

IUPAC[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H11ClFNO4/c15-11-3-2-10(12(16)6-11)8-21-14-5-9(7-18)1-4-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyKRQNLGOOEVPWRZ-UHFFFAOYSA-N
MW311.70 g/mol
LogP3.46
Rot. Bonds5

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

[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol (PubChem CID 114850111) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is [3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
PubChem CID114850111
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H11ClFNO4/c15-11-3-2-10(12(16)6-11)8-21-14-5-9(7-18)1-4-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyKRQNLGOOEVPWRZ-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-[(4-chloro-2-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-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-1-nitrobenzene
CID 114850357
[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 62116426
[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 105404143
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
[4-[(5-chloro-2-nitrophenyl)methoxy]phenyl]methanol
CID 79214399
[3-[(4-bromophenyl)methoxy]-4-nitrophenyl]methanol
CID 62115919
4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
CID 114849387
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]-1-nitrobenzene
CID 62115209
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114
[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 81151308
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol?
The IUPAC name of [3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol (CID 114850111) is [3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol is O=[N+]([O-])c1ccc(CO)cc1OCc1ccc(Cl)cc1F.
What is the InChIKey of [3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol?
The InChIKey is KRQNLGOOEVPWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c15-11-3-2-10(12(16)6-11)8-21-14-5-9(7-18)1-4-13(14)17(19)20/h1-6,18H,7-8H2.
What are the key properties of [3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol?
[3-[(4-chloro-2-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-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol is sourced from PubChem (CID 114850111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).