(6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol

C18H19NO — CID 10264849

IUPAC(6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol
SMILESCN1Cc2ccccc2[C@@H]2c3cc(O)ccc3CC[C@H]21
InChIInChI=1S/C18H19NO/c1-19-11-13-4-2-3-5-15(13)18-16-10-14(20)8-6-12(16)7-9-17(18)19/h2-6,8,10,17-18,20H,7,9,11H2,1H3/t17-,18-/m1/s1
InChIKeyYMKPESJKPYHAOX-QZTJIDSGSA-N
MW265.36 g/mol
LogP3.28
Rot. Bonds

About (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol

(6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol (PubChem CID 10264849) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol.

Molecular Properties

Compound Name(6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol
PubChem CID10264849
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol
SMILESCN1Cc2ccccc2[C@@H]2c3cc(O)ccc3CC[C@H]21
InChIInChI=1S/C18H19NO/c1-19-11-13-4-2-3-5-15(13)18-16-10-14(20)8-6-12(16)7-9-17(18)19/h2-6,8,10,17-18,20H,7,9,11H2,1H3/t17-,18-/m1/s1
InChIKeyYMKPESJKPYHAOX-QZTJIDSGSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol?
The IUPAC name of (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol (CID 10264849) is (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol.
What is the SMILES notation for (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol?
The canonical SMILES for (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol is CN1Cc2ccccc2[C@@H]2c3cc(O)ccc3CC[C@H]21.
What is the InChIKey of (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol?
The InChIKey is YMKPESJKPYHAOX-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-11-13-4-2-3-5-15(13)18-16-10-14(20)8-6-12(16)7-9-17(18)19/h2-6,8,10,17-18,20H,7,9,11H2,1H3/t17-,18-/m1/s1.
What are the key properties of (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol?
(6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol has a molecular weight of 265.36 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,12bS)-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridin-11-ol is sourced from PubChem (CID 10264849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).