(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol

C17H23NO3 — CID 95561849

IUPAC(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
SMILESOc1ccc2c(c1)[C@@H]1CCCCC[C@]1(N1CCOCC1)O2
InChIInChI=1S/C17H23NO3/c19-13-5-6-16-14(12-13)15-4-2-1-3-7-17(15,21-16)18-8-10-20-11-9-18/h5-6,12,15,19H,1-4,7-11H2/t15-,17-/m0/s1
InChIKeyRHAXJJRCYIQPBO-RDJZCZTQSA-N
MW289.37 g/mol
LogP2.86
Rot. Bonds1

About (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol

(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol (PubChem CID 95561849) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol.

Molecular Properties

Compound Name(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
PubChem CID95561849
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
SMILESOc1ccc2c(c1)[C@@H]1CCCCC[C@]1(N1CCOCC1)O2
InChIInChI=1S/C17H23NO3/c19-13-5-6-16-14(12-13)15-4-2-1-3-7-17(15,21-16)18-8-10-20-11-9-18/h5-6,12,15,19H,1-4,7-11H2/t15-,17-/m0/s1
InChIKeyRHAXJJRCYIQPBO-RDJZCZTQSA-N
XLogP2.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol with MolForge

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Related Compounds

3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 627722
(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 6954366
(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol
CID 930010
(4aS,9S,9aS)-4a-morpholin-4-yl-N-phenyl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
CID 139066052
7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
CID 11486756
4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine
CID 1130323
(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol
CID 131886728
methyl (3aR,8aS)-8a-morpholin-4-yl-3a,4,5,6,7,8-hexahydrocyclohepta[d][1,2]oxazole-3-carboxylate
CID 97300441
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
CID 51350060
3,3-dimethyl-2-piperidin-1-yl-2H-1-benzofuran-5-ol
CID 13084823

Frequently Asked Questions

What is the IUPAC name of (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol?
The IUPAC name of (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol (CID 95561849) is (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol.
What is the SMILES notation for (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol?
The canonical SMILES for (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol is Oc1ccc2c(c1)[C@@H]1CCCCC[C@]1(N1CCOCC1)O2.
What is the InChIKey of (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol?
The InChIKey is RHAXJJRCYIQPBO-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H23NO3/c19-13-5-6-16-14(12-13)15-4-2-1-3-7-17(15,21-16)18-8-10-20-11-9-18/h5-6,12,15,19H,1-4,7-11H2/t15-,17-/m0/s1.
What are the key properties of (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol?
(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol has a molecular weight of 289.37 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol is sourced from PubChem (CID 95561849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).