[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol

C15H15NO4 — CID 28964150

IUPAC[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol
SMILESCc1ccc(C)c(Oc2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15NO4/c1-10-3-4-11(2)15(7-10)20-14-6-5-12(9-17)8-13(14)16(18)19/h3-8,17H,9H2,1-2H3
InChIKeyHTCZWFATYMLAOU-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.50
Rot. Bonds4

About [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol

[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol (PubChem CID 28964150) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol
PubChem CID28964150
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol
SMILESCc1ccc(C)c(Oc2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15NO4/c1-10-3-4-11(2)15(7-10)20-14-6-5-12(9-17)8-13(14)16(18)19/h3-8,17H,9H2,1-2H3
InChIKeyHTCZWFATYMLAOU-UHFFFAOYSA-N
XLogP3.50
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.50
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

[4-(2,5-dimethyl-4-nitrophenoxy)-3-methylphenyl]methanol
CID 63184821
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
CID 62122577
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
[4-(2-methylsulfanylphenoxy)-3-nitrophenyl]methanol
CID 63648194
N-methyl-1-[4-methyl-3-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 105407132
2-[4-(chloromethyl)-2-nitrophenoxy]-1-fluoro-4-methylbenzene
CID 64855803
[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
CID 28964082
(3-nitro-4-propan-2-yloxyphenyl)methanol
CID 28963964
2-(4-ethyl-2-nitrophenoxy)-5-methylbenzonitrile
CID 107928213
[3-(4-bromo-2-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407397

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol?
The IUPAC name of [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol (CID 28964150) is [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol.
What is the SMILES notation for [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol?
The canonical SMILES for [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol is Cc1ccc(C)c(Oc2ccc(CO)cc2[N+](=O)[O-])c1.
What is the InChIKey of [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol?
The InChIKey is HTCZWFATYMLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-3-4-11(2)15(7-10)20-14-6-5-12(9-17)8-13(14)16(18)19/h3-8,17H,9H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol?
[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol has a molecular weight of 273.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol is sourced from PubChem (CID 28964150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).