(4-ethoxy-5-methoxy-2-nitrophenyl)methanol

C10H13NO5 — CID 43311689

IUPAC(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
SMILESCCOc1cc([N+](=O)[O-])c(CO)cc1OC
InChIInChI=1S/C10H13NO5/c1-3-16-10-5-8(11(13)14)7(6-12)4-9(10)15-2/h4-5,12H,3,6H2,1-2H3
InChIKeyKDRXUWRCRSYKFI-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.49
Rot. Bonds5

About (4-ethoxy-5-methoxy-2-nitrophenyl)methanol

(4-ethoxy-5-methoxy-2-nitrophenyl)methanol (PubChem CID 43311689) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is (4-ethoxy-5-methoxy-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
PubChem CID43311689
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
SMILESCCOc1cc([N+](=O)[O-])c(CO)cc1OC
InChIInChI=1S/C10H13NO5/c1-3-16-10-5-8(11(13)14)7(6-12)4-9(10)15-2/h4-5,12H,3,6H2,1-2H3
InChIKeyKDRXUWRCRSYKFI-UHFFFAOYSA-N
XLogP1.49
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.49
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

[4-(2-ethylsulfonylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43807940
[5-methoxy-2-nitro-4-(2-nitroethoxy)phenyl]methanol
CID 139644749
2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
CID 112720413
[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
CID 43311741
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide
CID 43311733
1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
CID 57346293
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-5-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 23523591
(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
CID 162372482
(4-hept-6-enoxy-5-methoxy-2-nitrophenyl)methanol
CID 107007463
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanamide
CID 62901575
[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol
CID 43311683
[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43311703

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-5-methoxy-2-nitrophenyl)methanol?
The IUPAC name of (4-ethoxy-5-methoxy-2-nitrophenyl)methanol (CID 43311689) is (4-ethoxy-5-methoxy-2-nitrophenyl)methanol.
What is the SMILES notation for (4-ethoxy-5-methoxy-2-nitrophenyl)methanol?
The canonical SMILES for (4-ethoxy-5-methoxy-2-nitrophenyl)methanol is CCOc1cc([N+](=O)[O-])c(CO)cc1OC.
What is the InChIKey of (4-ethoxy-5-methoxy-2-nitrophenyl)methanol?
The InChIKey is KDRXUWRCRSYKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-3-16-10-5-8(11(13)14)7(6-12)4-9(10)15-2/h4-5,12H,3,6H2,1-2H3.
What are the key properties of (4-ethoxy-5-methoxy-2-nitrophenyl)methanol?
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol has a molecular weight of 227.22 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-5-methoxy-2-nitrophenyl)methanol is sourced from PubChem (CID 43311689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).