[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol

C13H10FNO4 — CID 106530170

IUPAC[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2cc(F)cc(CO)c2)cc1
InChIInChI=1S/C13H10FNO4/c14-10-5-9(8-16)6-13(7-10)19-12-3-1-11(2-4-12)15(17)18/h1-7,16H,8H2
InChIKeyCXMDCPKPZRTYSB-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.02
Rot. Bonds4

About [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol

[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol (PubChem CID 106530170) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
PubChem CID106530170
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2cc(F)cc(CO)c2)cc1
InChIInChI=1S/C13H10FNO4/c14-10-5-9(8-16)6-13(7-10)19-12-3-1-11(2-4-12)15(17)18/h1-7,16H,8H2
InChIKeyCXMDCPKPZRTYSB-UHFFFAOYSA-N
XLogP3.02
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.02
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

1-chloro-2-[3-(chloromethyl)-5-fluorophenoxy]-4-nitrobenzene
CID 106530691
[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
CID 106530155
[3-(4-butylphenoxy)-5-fluorophenyl]methanol
CID 106530226
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
[2-nitro-5-(4-nitrophenoxy)phenyl]methanol
CID 106546897
[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
CID 80920971
[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
CID 106530131
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
(3-fluoro-5-quinolin-7-yloxyphenyl)methanol
CID 107314116
1-fluoro-3-[3-(methoxymethyl)phenoxy]-5-nitrobenzene
CID 80752391
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
2-fluoro-4-(3-fluoro-5-nitrophenoxy)benzonitrile
CID 80752891

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol (CID 106530170) is [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol is O=[N+]([O-])c1ccc(Oc2cc(F)cc(CO)c2)cc1.
What is the InChIKey of [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol?
The InChIKey is CXMDCPKPZRTYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-10-5-9(8-16)6-13(7-10)19-12-3-1-11(2-4-12)15(17)18/h1-7,16H,8H2.
What are the key properties of [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol?
[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol has a molecular weight of 263.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(4-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 106530170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).