3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride

C16H24ClNO3 — CID 82020766

IUPAC3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride
SMILESCCOc1ccc2c(c1)OC1(CCCCC1)C(N)C2O.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-2-19-11-6-7-12-13(10-11)20-16(15(17)14(12)18)8-4-3-5-9-16;/h6-7,10,14-15,18H,2-5,8-9,17H2,1H3;1H
InChIKeyXUWGOXNPNWCXGF-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.96
Rot. Bonds2

About 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride

3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride (PubChem CID 82020766) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride
PubChem CID82020766
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride
SMILESCCOc1ccc2c(c1)OC1(CCCCC1)C(N)C2O.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-2-19-11-6-7-12-13(10-11)20-16(15(17)14(12)18)8-4-3-5-9-16;/h6-7,10,14-15,18H,2-5,8-9,17H2,1H3;1H
InChIKeyXUWGOXNPNWCXGF-UHFFFAOYSA-N
XLogP2.96
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 82020729
3-amino-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020765
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020755
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
2'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714363
8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride
CID 82019296
3-ethoxy-9H-xanthen-9-amine
CID 20793754
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820
(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
CID 12051572
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
CID 82187460

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride?
The IUPAC name of 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride (CID 82020766) is 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride.
What is the SMILES notation for 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride?
The canonical SMILES for 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride is CCOc1ccc2c(c1)OC1(CCCCC1)C(N)C2O.Cl.
What is the InChIKey of 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride?
The InChIKey is XUWGOXNPNWCXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-2-19-11-6-7-12-13(10-11)20-16(15(17)14(12)18)8-4-3-5-9-16;/h6-7,10,14-15,18H,2-5,8-9,17H2,1H3;1H.
What are the key properties of 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride?
3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride is sourced from PubChem (CID 82020766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).