(2,5-dimethoxy-3-nitrophenyl)methanol

C9H11NO5 — CID 16725143

IUPAC(2,5-dimethoxy-3-nitrophenyl)methanol
SMILESCOc1cc(CO)c(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11NO5/c1-14-7-3-6(5-11)9(15-2)8(4-7)10(12)13/h3-4,11H,5H2,1-2H3
InChIKeyQGMWOVMVDLQMET-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.10
Rot. Bonds4

About (2,5-dimethoxy-3-nitrophenyl)methanol

(2,5-dimethoxy-3-nitrophenyl)methanol (PubChem CID 16725143) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is (2,5-dimethoxy-3-nitrophenyl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxy-3-nitrophenyl)methanol
PubChem CID16725143
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name(2,5-dimethoxy-3-nitrophenyl)methanol
SMILESCOc1cc(CO)c(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11NO5/c1-14-7-3-6(5-11)9(15-2)8(4-7)10(12)13/h3-4,11H,5H2,1-2H3
InChIKeyQGMWOVMVDLQMET-UHFFFAOYSA-N
XLogP1.10
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.10
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

2,5-Dimethoxy-4-nitrophenethylamine
CID 10036637
2,5-Dimethoxy-4-nitroamphetamine
CID 105432
Benzeneethanamine, 2,5-dimethoxy-alpha-methyl-4-nitro-, (alphaR)-
CID 54580952
3-Methoxy-4-nitrobenzyl alcohol
CID 602961
2-Methoxy-4-nitrobenzyl alcohol
CID 10487701
2,5-Dimethoxy-3-nitrobenzoic acid
CID 2733991
2,5-Dimethoxy-4-nitrophenethylamine hydrochloride
CID 76964615
4-Methoxy-2-{[(3-methylphenyl)imino]methyl}-6-nitrophenol
CID 792025
1-Hydroxyl-2-tert-butyl-4-methoxy-6-nitrobenzene
CID 124445
(4-Methoxy-3-nitrophenyl)methanol
CID 4432413
methyl (Z,5R,6S)-6-(2,5-dimethoxy-3-nitrophenyl)-6-ethoxy-5-methylhex-3-enoate
CID 16758534
methyl (E,5S)-8-(2,5-dimethoxy-3-nitrophenyl)-8-ethoxy-6-methoxy-5,7-dimethyloct-3-enoate
CID 16758920

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-3-nitrophenyl)methanol?
The IUPAC name of (2,5-dimethoxy-3-nitrophenyl)methanol (CID 16725143) is (2,5-dimethoxy-3-nitrophenyl)methanol.
What is the SMILES notation for (2,5-dimethoxy-3-nitrophenyl)methanol?
The canonical SMILES for (2,5-dimethoxy-3-nitrophenyl)methanol is COc1cc(CO)c(OC)c([N+](=O)[O-])c1.
What is the InChIKey of (2,5-dimethoxy-3-nitrophenyl)methanol?
The InChIKey is QGMWOVMVDLQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-14-7-3-6(5-11)9(15-2)8(4-7)10(12)13/h3-4,11H,5H2,1-2H3.
What are the key properties of (2,5-dimethoxy-3-nitrophenyl)methanol?
(2,5-dimethoxy-3-nitrophenyl)methanol has a molecular weight of 213.19 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-3-nitrophenyl)methanol is sourced from PubChem (CID 16725143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).