2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol

C15H21NO5 — CID 102703796

IUPAC2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21NO5/c1-4-15(5-2)13(17)9-14(15)21-12-8-10(20-3)6-7-11(12)16(18)19/h6-8,13-14,17H,4-5,9H2,1-3H3
InChIKeyLOFKIWADYMBZEH-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.92
Rot. Bonds6

About 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol

2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol (PubChem CID 102703796) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol
PubChem CID102703796
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21NO5/c1-4-15(5-2)13(17)9-14(15)21-12-8-10(20-3)6-7-11(12)16(18)19/h6-8,13-14,17H,4-5,9H2,1-3H3
InChIKeyLOFKIWADYMBZEH-UHFFFAOYSA-N
XLogP2.92
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.92
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

2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol
CID 66367092
2,2-diethyl-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-ol
CID 66343737
2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol
CID 66367495
2-(3-bromo-2,2-diethylcyclobutyl)oxy-4-chloro-1-nitrobenzene
CID 66344119
3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol
CID 66367717
2-(3-chloro-2,2-diethylcyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343389
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344863
3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol
CID 66368713
2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
CID 66367501
2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
CID 140975291
2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 102703835
2-(3-chloro-2,2-diethylcyclobutyl)oxy-1-methoxy-4-nitrobenzene
CID 66345076

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol (CID 102703796) is 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol is CCC1(CC)C(O)CC1Oc1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol?
The InChIKey is LOFKIWADYMBZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-15(5-2)13(17)9-14(15)21-12-8-10(20-3)6-7-11(12)16(18)19/h6-8,13-14,17H,4-5,9H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol?
2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol has a molecular weight of 295.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol is sourced from PubChem (CID 102703796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).