[4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol

C14H12FNO4 — CID 62134721

IUPAC[4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol
SMILESCc1cc(Oc2cc(F)ccc2[N+](=O)[O-])ccc1CO
InChIInChI=1S/C14H12FNO4/c1-9-6-12(4-2-10(9)8-17)20-14-7-11(15)3-5-13(14)16(18)19/h2-7,17H,8H2,1H3
InChIKeyAPSKXMMGKCFMIC-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.33
Rot. Bonds4

About [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol

[4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol (PubChem CID 62134721) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol
PubChem CID62134721
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name[4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol
SMILESCc1cc(Oc2cc(F)ccc2[N+](=O)[O-])ccc1CO
InChIInChI=1S/C14H12FNO4/c1-9-6-12(4-2-10(9)8-17)20-14-7-11(15)3-5-13(14)16(18)19/h2-7,17H,8H2,1H3
InChIKeyAPSKXMMGKCFMIC-UHFFFAOYSA-N
XLogP3.33
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.33
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

[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
2-(4-bromophenoxy)-4-fluoro-1-nitrobenzene
CID 62377093
1-[4-(5-chloro-2-nitrophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62303997
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 114060424
[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 61031552
2-[3-(chloromethyl)phenoxy]-4-fluoro-1-nitrobenzene
CID 112594517
2-[2-(chloromethyl)-4-fluorophenoxy]-4-fluoro-1-nitrobenzene
CID 61031561
4-(5-fluoro-2-methylphenoxy)-2-nitrobenzonitrile
CID 102981647
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol?
The IUPAC name of [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol (CID 62134721) is [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol?
The canonical SMILES for [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol is Cc1cc(Oc2cc(F)ccc2[N+](=O)[O-])ccc1CO.
What is the InChIKey of [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol?
The InChIKey is APSKXMMGKCFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-9-6-12(4-2-10(9)8-17)20-14-7-11(15)3-5-13(14)16(18)19/h2-7,17H,8H2,1H3.
What are the key properties of [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol?
[4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol has a molecular weight of 277.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol is sourced from PubChem (CID 62134721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).