[3-(2-methyl-6-nitrophenoxy)phenyl]methanol

C14H13NO4 — CID 115553970

IUPAC[3-(2-methyl-6-nitrophenoxy)phenyl]methanol
SMILESCc1cccc([N+](=O)[O-])c1Oc1cccc(CO)c1
InChIInChI=1S/C14H13NO4/c1-10-4-2-7-13(15(17)18)14(10)19-12-6-3-5-11(8-12)9-16/h2-8,16H,9H2,1H3
InChIKeyDRYYDFQHDWVBAQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.19
Rot. Bonds4

About [3-(2-methyl-6-nitrophenoxy)phenyl]methanol

[3-(2-methyl-6-nitrophenoxy)phenyl]methanol (PubChem CID 115553970) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [3-(2-methyl-6-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-methyl-6-nitrophenoxy)phenyl]methanol
PubChem CID115553970
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[3-(2-methyl-6-nitrophenoxy)phenyl]methanol
SMILESCc1cccc([N+](=O)[O-])c1Oc1cccc(CO)c1
InChIInChI=1S/C14H13NO4/c1-10-4-2-7-13(15(17)18)14(10)19-12-6-3-5-11(8-12)9-16/h2-8,16H,9H2,1H3
InChIKeyDRYYDFQHDWVBAQ-UHFFFAOYSA-N
XLogP3.19
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.19
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

2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol
CID 107709663
[3-(2-amino-6-methylphenoxy)phenyl]methanol
CID 115550948
2-[4-(bromomethyl)-3-methylphenoxy]-1-methyl-3-nitrobenzene
CID 107089041
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
[3-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869246
4-(2,6-dimethylphenoxy)-2-nitroaniline
CID 58017485
4-[3-(chloromethyl)phenoxy]-1-methyl-2-nitrobenzene
CID 114252508
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940584
[3-(2-chloro-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 114044249
[3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)oxy]phenyl]methanol
CID 79870729
2-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
CID 80872239

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-6-nitrophenoxy)phenyl]methanol?
The IUPAC name of [3-(2-methyl-6-nitrophenoxy)phenyl]methanol (CID 115553970) is [3-(2-methyl-6-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [3-(2-methyl-6-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [3-(2-methyl-6-nitrophenoxy)phenyl]methanol is Cc1cccc([N+](=O)[O-])c1Oc1cccc(CO)c1.
What is the InChIKey of [3-(2-methyl-6-nitrophenoxy)phenyl]methanol?
The InChIKey is DRYYDFQHDWVBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-10-4-2-7-13(15(17)18)14(10)19-12-6-3-5-11(8-12)9-16/h2-8,16H,9H2,1H3.
What are the key properties of [3-(2-methyl-6-nitrophenoxy)phenyl]methanol?
[3-(2-methyl-6-nitrophenoxy)phenyl]methanol has a molecular weight of 259.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-6-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 115553970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).