[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol

C14H11ClFNO4 — CID 115980729

IUPAC[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cc(F)cc(COc2ccc(CO)cc2Cl)c1
InChIInChI=1S/C14H11ClFNO4/c15-13-5-9(7-18)1-2-14(13)21-8-10-3-11(16)6-12(4-10)17(19)20/h1-6,18H,7-8H2
InChIKeyXTRPPNKXTBGGHC-UHFFFAOYSA-N
MW311.70 g/mol
LogP3.46
Rot. Bonds5

About [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol

[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol (PubChem CID 115980729) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
PubChem CID115980729
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cc(F)cc(COc2ccc(CO)cc2Cl)c1
InChIInChI=1S/C14H11ClFNO4/c15-13-5-9(7-18)1-2-14(13)21-8-10-3-11(16)6-12(4-10)17(19)20/h1-6,18H,7-8H2
InChIKeyXTRPPNKXTBGGHC-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-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]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-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 105404143
4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
4-chloro-2-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 115980594
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 107670429
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395
2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 115980639
5-bromo-2-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 115980595

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol (CID 115980729) is [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol is O=[N+]([O-])c1cc(F)cc(COc2ccc(CO)cc2Cl)c1.
What is the InChIKey of [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol?
The InChIKey is XTRPPNKXTBGGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c15-13-5-9(7-18)1-2-14(13)21-8-10-3-11(16)6-12(4-10)17(19)20/h1-6,18H,7-8H2.
What are the key properties of [3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol?
[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]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-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 115980729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).