spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol

C13H17NO2 — CID 115098139

IUPACspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol
SMILESOc1ccc2c(c1)OC1(CCCCC1)CN2
InChIInChI=1S/C13H17NO2/c15-10-4-5-11-12(8-10)16-13(9-14-11)6-2-1-3-7-13/h4-5,8,14-15H,1-3,6-7,9H2
InChIKeyUDKAGXLANFFWPO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.90
Rot. Bonds

About spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol

spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol (PubChem CID 115098139) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol.

Molecular Properties

Compound Namespiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol
PubChem CID115098139
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namespiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol
SMILESOc1ccc2c(c1)OC1(CCCCC1)CN2
InChIInChI=1S/C13H17NO2/c15-10-4-5-11-12(8-10)16-13(9-14-11)6-2-1-3-7-13/h4-5,8,14-15H,1-3,6-7,9H2
InChIKeyUDKAGXLANFFWPO-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
CID 115097893
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-5-ol
CID 115097986
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097115
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclopentane]
CID 82377337
6-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopentane]
CID 81197670
6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097033
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol
CID 115099341
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908
1-oxa-3-azaspiro[4.5]decane-2-thione
CID 10236033
5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid
CID 82377689
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
CID 82377124

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol?
The IUPAC name of spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol (CID 115098139) is spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol.
What is the SMILES notation for spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol?
The canonical SMILES for spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol is Oc1ccc2c(c1)OC1(CCCCC1)CN2.
What is the InChIKey of spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol?
The InChIKey is UDKAGXLANFFWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-4-5-11-12(8-10)16-13(9-14-11)6-2-1-3-7-13/h4-5,8,14-15H,1-3,6-7,9H2.
What are the key properties of spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol?
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol has a molecular weight of 219.28 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol is sourced from PubChem (CID 115098139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).