[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol

C14H14N2O4 — CID 80872239

IUPAC[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
SMILESCNc1cc(Oc2cccc(CO)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O4/c1-15-11-6-12(16(18)19)8-14(7-11)20-13-4-2-3-10(5-13)9-17/h2-8,15,17H,9H2,1H3
InChIKeyUTPNKQWNORSFPZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.92
Rot. Bonds5

About [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol

[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol (PubChem CID 80872239) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
PubChem CID80872239
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
SMILESCNc1cc(Oc2cccc(CO)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O4/c1-15-11-6-12(16(18)19)8-14(7-11)20-13-4-2-3-10(5-13)9-17/h2-8,15,17H,9H2,1H3
InChIKeyUTPNKQWNORSFPZ-UHFFFAOYSA-N
XLogP2.92
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.92
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

N-methyl-3-nitro-5-(3-propan-2-ylphenoxy)aniline
CID 80865691
[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
CID 80920971
1-[3-(3-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486509
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
N-methyl-3-nitro-5-(4-propan-2-ylphenoxy)aniline
CID 80867666
[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 79869655
3-(2,4-dibromophenoxy)-N-methyl-5-nitroaniline
CID 80877999
N-methyl-3-nitro-5-(2-propan-2-ylphenoxy)aniline
CID 80874041
3-(3-fluorophenoxy)-5-nitro-N-propylaniline
CID 80865059
1-fluoro-3-[3-(methoxymethyl)phenoxy]-5-nitrobenzene
CID 80752391
1-(iodomethyl)-3-(3-nitrophenoxy)benzene
CID 166790575
1-bromo-3-[3-(chloromethyl)phenoxy]-5-nitrobenzene
CID 103588938

Frequently Asked Questions

What is the IUPAC name of [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol?
The IUPAC name of [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol (CID 80872239) is [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol.
What is the SMILES notation for [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol?
The canonical SMILES for [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol is CNc1cc(Oc2cccc(CO)c2)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol?
The InChIKey is UTPNKQWNORSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-15-11-6-12(16(18)19)8-14(7-11)20-13-4-2-3-10(5-13)9-17/h2-8,15,17H,9H2,1H3.
What are the key properties of [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol?
[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol has a molecular weight of 274.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol is sourced from PubChem (CID 80872239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).