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

C15H14FNO5 — CID 112788151

IUPAC[5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(COc2c(CO)cc(F)cc2CO)c1
InChIInChI=1S/C15H14FNO5/c16-13-5-11(7-18)15(12(6-13)8-19)22-9-10-2-1-3-14(4-10)17(20)21/h1-6,18-19H,7-9H2
InChIKeyPORVCGTWUDHCGQ-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.30
Rot. Bonds6

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

[5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol (PubChem CID 112788151) has the molecular formula C15H14FNO5 and a molecular weight of 307.28 g/mol. Its IUPAC name is [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol
PubChem CID112788151
Molecular FormulaC15H14FNO5
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name[5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(COc2c(CO)cc(F)cc2CO)c1
InChIInChI=1S/C15H14FNO5/c16-13-5-11(7-18)15(12(6-13)8-19)22-9-10-2-1-3-14(4-10)17(20)21/h1-6,18-19H,7-9H2
InChIKeyPORVCGTWUDHCGQ-UHFFFAOYSA-N
XLogP2.30
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
5-(chloromethyl)-1,3-difluoro-2-[(3-nitrophenyl)methoxy]benzene
CID 79881044
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol
CID 45371698
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 114320381
3-methoxy-2-[(3-nitrophenyl)methoxy]benzonitrile
CID 2973917
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 78934193
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
3,5-diiodo-4-[(3-nitrophenyl)methoxy]benzaldehyde
CID 4518004
[2-[(2-bromo-4-nitrophenyl)methoxy]-3-fluorophenyl]methanol
CID 115956391

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol?
The IUPAC name of [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol (CID 112788151) is [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol is O=[N+]([O-])c1cccc(COc2c(CO)cc(F)cc2CO)c1.
What is the InChIKey of [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol?
The InChIKey is PORVCGTWUDHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5/c16-13-5-11(7-18)15(12(6-13)8-19)22-9-10-2-1-3-14(4-10)17(20)21/h1-6,18-19H,7-9H2.
What are the key properties of [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol?
[5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol has a molecular weight of 307.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 112788151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).