6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol

C22H23NO3 — CID 75167435

IUPAC6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
SMILESCOc1cc2c3c(c4ccccc4c2cc1OC)C(O)C1CCCN1C3
InChIInChI=1S/C22H23NO3/c1-25-19-10-15-13-6-3-4-7-14(13)21-17(16(15)11-20(19)26-2)12-23-9-5-8-18(23)22(21)24/h3-4,6-7,10-11,18,22,24H,5,8-9,12H2,1-2H3
InChIKeyANQNMLURNXPSDY-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.02
Rot. Bonds2

About 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol

6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol (PubChem CID 75167435) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol.

Molecular Properties

Compound Name6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
PubChem CID75167435
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
SMILESCOc1cc2c3c(c4ccccc4c2cc1OC)C(O)C1CCCN1C3
InChIInChI=1S/C22H23NO3/c1-25-19-10-15-13-6-3-4-7-14(13)21-17(16(15)11-20(19)26-2)12-23-9-5-8-18(23)22(21)24/h3-4,6-7,10-11,18,22,24H,5,8-9,12H2,1-2H3
InChIKeyANQNMLURNXPSDY-UHFFFAOYSA-N
XLogP4.02
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol?
The IUPAC name of 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol (CID 75167435) is 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol.
What is the SMILES notation for 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol?
The canonical SMILES for 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol is COc1cc2c3c(c4ccccc4c2cc1OC)C(O)C1CCCN1C3.
What is the InChIKey of 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol?
The InChIKey is ANQNMLURNXPSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-25-19-10-15-13-6-3-4-7-14(13)21-17(16(15)11-20(19)26-2)12-23-9-5-8-18(23)22(21)24/h3-4,6-7,10-11,18,22,24H,5,8-9,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol?
6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol has a molecular weight of 349.43 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol is sourced from PubChem (CID 75167435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).