3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol

C15H19NO5 — CID 66367717

IUPAC3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol
SMILESCOc1ccc(OC2CC(O)C23CCCC3)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19NO5/c1-20-10-4-5-12(11(8-10)16(18)19)21-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,13-14,17H,2-3,6-7,9H2,1H3
InChIKeySGUJQNKHCBKTHC-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.68
Rot. Bonds4

About 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol

3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol (PubChem CID 66367717) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol.

Molecular Properties

Compound Name3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol
PubChem CID66367717
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol
SMILESCOc1ccc(OC2CC(O)C23CCCC3)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19NO5/c1-20-10-4-5-12(11(8-10)16(18)19)21-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,13-14,17H,2-3,6-7,9H2,1H3
InChIKeySGUJQNKHCBKTHC-UHFFFAOYSA-N
XLogP2.68
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.68
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

3-(4-ethyl-2-nitrophenoxy)spiro[3.4]octan-1-ol
CID 66345446
3-(2-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366465
3-(3-methyl-4-nitrophenoxy)spiro[3.4]octan-1-ol
CID 66368711
2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
CID 60879534
3-(4-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366874
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344863
2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol
CID 102703796
1-(3-bromocyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344436
1-(3-chlorocyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344224
3-(4-bromo-2-nitrophenoxy)spiro[3.4]octan-1-amine
CID 66350966
3-chloro-1-(4-chloro-2-nitrophenoxy)spiro[3.4]octane
CID 66343835
2-(4-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol?
The IUPAC name of 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol (CID 66367717) is 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol.
What is the SMILES notation for 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol?
The canonical SMILES for 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol is COc1ccc(OC2CC(O)C23CCCC3)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol?
The InChIKey is SGUJQNKHCBKTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-10-4-5-12(11(8-10)16(18)19)21-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,13-14,17H,2-3,6-7,9H2,1H3.
What are the key properties of 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol?
3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol has a molecular weight of 293.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol is sourced from PubChem (CID 66367717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).