[4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol

C15H16N2O4 — CID 61230213

IUPAC[4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol
SMILESCN(C)c1cccc(Oc2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-16(2)12-4-3-5-13(9-12)21-15-7-6-11(10-18)8-14(15)17(19)20/h3-9,18H,10H2,1-2H3
InChIKeyPSXBMKFUEOELCQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.95
Rot. Bonds5

About [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol

[4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol (PubChem CID 61230213) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol
PubChem CID61230213
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol
SMILESCN(C)c1cccc(Oc2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-16(2)12-4-3-5-13(9-12)21-15-7-6-11(10-18)8-14(15)17(19)20/h3-9,18H,10H2,1-2H3
InChIKeyPSXBMKFUEOELCQ-UHFFFAOYSA-N
XLogP2.95
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
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

[3-chloro-4-[3-(dimethylamino)phenoxy]phenyl]methanol
CID 81152356
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
[4-(2-methylsulfanylphenoxy)-3-nitrophenyl]methanol
CID 63648194
[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol
CID 28964150
(3-nitro-4-propan-2-yloxyphenyl)methanol
CID 28963964
[3-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869246
3-[3-(dimethylamino)phenoxy]-N-methyl-2-nitroaniline
CID 80879549
[3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)oxy]phenyl]methanol
CID 79870729
[3-(2-methyl-6-nitrophenoxy)phenyl]methanol
CID 115553970
[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
CID 28964082
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol (CID 61230213) is [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol is CN(C)c1cccc(Oc2ccc(CO)cc2[N+](=O)[O-])c1.
What is the InChIKey of [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol?
The InChIKey is PSXBMKFUEOELCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-16(2)12-4-3-5-13(9-12)21-15-7-6-11(10-18)8-14(15)17(19)20/h3-9,18H,10H2,1-2H3.
What are the key properties of [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol?
[4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol has a molecular weight of 288.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 61230213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).