[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol

C12H17NO5 — CID 65175373

IUPAC[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
SMILESCCOCCCOc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C12H17NO5/c1-2-17-6-3-7-18-12-5-4-11(13(15)16)8-10(12)9-14/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeyCQWNZJJUMPEGMN-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.89
Rot. Bonds8

About [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol

[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol (PubChem CID 65175373) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
PubChem CID65175373
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
SMILESCCOCCCOc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C12H17NO5/c1-2-17-6-3-7-18-12-5-4-11(13(15)16)8-10(12)9-14/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeyCQWNZJJUMPEGMN-UHFFFAOYSA-N
XLogP1.89
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-1-(3-ethoxypropoxy)-4-nitrobenzene
CID 65175598
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
ethyl 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 43472951
4-[2-(hydroxymethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 79356216
[2-[2-(3-methylbutoxy)ethoxy]-5-nitrophenyl]methanol
CID 61484381
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
5-[2-(hydroxymethyl)-4-nitrophenoxy]-2,2-dimethylpentanenitrile
CID 65255458
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
[5-nitro-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64564855
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 63056250

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol?
The IUPAC name of [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol (CID 65175373) is [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol.
What is the SMILES notation for [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol?
The canonical SMILES for [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol is CCOCCCOc1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol?
The InChIKey is CQWNZJJUMPEGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-2-17-6-3-7-18-12-5-4-11(13(15)16)8-10(12)9-14/h4-5,8,14H,2-3,6-7,9H2,1H3.
What are the key properties of [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol?
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol has a molecular weight of 255.27 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxypropoxy)-5-nitrophenyl]methanol is sourced from PubChem (CID 65175373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).