6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol

C14H21NO4 — CID 103867890

IUPAC6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol
SMILESCc1cc([N+](=O)[O-])c(C)cc1OCCCCCCO
InChIInChI=1S/C14H21NO4/c1-11-10-14(12(2)9-13(11)15(17)18)19-8-6-4-3-5-7-16/h9-10,16H,3-8H2,1-2H3
InChIKeyOISZMIZQOXGJQL-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.14
Rot. Bonds8

About 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol

6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol (PubChem CID 103867890) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol
PubChem CID103867890
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol
SMILESCc1cc([N+](=O)[O-])c(C)cc1OCCCCCCO
InChIInChI=1S/C14H21NO4/c1-11-10-14(12(2)9-13(11)15(17)18)19-8-6-4-3-5-7-16/h9-10,16H,3-8H2,1-2H3
InChIKeyOISZMIZQOXGJQL-UHFFFAOYSA-N
XLogP3.14
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(2,5-dimethyl-4-nitrophenoxy)propanoic acid
CID 63180569
1-(2,5-dimethyl-4-nitrophenoxy)propan-2-ol
CID 65277371
3-[2-(3-hydroxypropoxy)-4,5-dinitrophenoxy]propan-1-ol
CID 19604125
5-[5-(methylaminomethyl)-2-nitrophenoxy]pentan-1-ol
CID 62227298
4-(2,5-dimethyl-4-nitrophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062337
2-[3-(2,5-dimethyl-4-nitrophenoxy)propyl]pyrrolidine
CID 63181099
4-(2,5-dimethyl-4-nitrophenoxy)-2-ethylbut-2-enoic acid
CID 77100700
4-(2,5-dimethyl-4-nitrophenoxy)but-2-enoic acid
CID 76987974
6-[5-(ethylaminomethyl)-2-nitrophenoxy]hexan-1-ol
CID 107702531
5-[4-(ethylaminomethyl)-2-nitrophenoxy]pentan-1-ol
CID 62229147
5-(2-bromo-5-nitrophenoxy)pentan-1-ol
CID 102975174
1-(3-bromo-2-methylpropoxy)-2,5-dimethyl-4-nitrobenzene
CID 64995895

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol?
The IUPAC name of 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol (CID 103867890) is 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol.
What is the SMILES notation for 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol?
The canonical SMILES for 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol is Cc1cc([N+](=O)[O-])c(C)cc1OCCCCCCO.
What is the InChIKey of 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol?
The InChIKey is OISZMIZQOXGJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-11-10-14(12(2)9-13(11)15(17)18)19-8-6-4-3-5-7-16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol?
6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol has a molecular weight of 267.32 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol is sourced from PubChem (CID 103867890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).