(6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol

C16H15NO3 — CID 134845045

IUPAC(6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol
SMILESCOc1ccc2c(c1)N[C@@H]1c3ccc(O)cc3OC[C@H]21
InChIInChI=1S/C16H15NO3/c1-19-10-3-5-11-13-8-20-15-6-9(18)2-4-12(15)16(13)17-14(11)7-10/h2-7,13,16-18H,8H2,1H3/t13-,16-/m1/s1
InChIKeyYHNDWYJAFHUITI-CZUORRHYSA-N
MW269.30 g/mol
LogP3.04
Rot. Bonds1

About (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol

(6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol (PubChem CID 134845045) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol.

Molecular Properties

Compound Name(6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol
PubChem CID134845045
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol
SMILESCOc1ccc2c(c1)N[C@@H]1c3ccc(O)cc3OC[C@H]21
InChIInChI=1S/C16H15NO3/c1-19-10-3-5-11-13-8-20-15-6-9(18)2-4-12(15)16(13)17-14(11)7-10/h2-7,13,16-18H,8H2,1H3/t13-,16-/m1/s1
InChIKeyYHNDWYJAFHUITI-CZUORRHYSA-N
XLogP3.04
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol?
The IUPAC name of (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol (CID 134845045) is (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol.
What is the SMILES notation for (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol?
The canonical SMILES for (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol is COc1ccc2c(c1)N[C@@H]1c3ccc(O)cc3OC[C@H]21.
What is the InChIKey of (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol?
The InChIKey is YHNDWYJAFHUITI-CZUORRHYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-10-3-5-11-13-8-20-15-6-9(18)2-4-12(15)16(13)17-14(11)7-10/h2-7,13,16-18H,8H2,1H3/t13-,16-/m1/s1.
What are the key properties of (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol?
(6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol has a molecular weight of 269.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol is sourced from PubChem (CID 134845045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).