4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol

C23H25NO4 — CID 59452495

IUPAC4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol
SMILESCOc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)CC1CCCN1C3
InChIInChI=1S/C23H25NO4/c1-26-20-10-16-17(11-21(20)27-2)22-14(6-7-19(25)23(22)28-3)15-9-13-5-4-8-24(13)12-18(15)16/h6-7,10-11,13,25H,4-5,8-9,12H2,1-3H3
InChIKeyIPEYRWVHYYVFAP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.24
Rot. Bonds3

About 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol

4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol (PubChem CID 59452495) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol.

Molecular Properties

Compound Name4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol
PubChem CID59452495
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol
SMILESCOc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)CC1CCCN1C3
InChIInChI=1S/C23H25NO4/c1-26-20-10-16-17(11-21(20)27-2)22-14(6-7-19(25)23(22)28-3)15-9-13-5-4-8-24(13)12-18(15)16/h6-7,10-11,13,25H,4-5,8-9,12H2,1-3H3
InChIKeyIPEYRWVHYYVFAP-UHFFFAOYSA-N
XLogP4.24
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-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 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol?
The IUPAC name of 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol (CID 59452495) is 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol.
What is the SMILES notation for 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol?
The canonical SMILES for 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol is COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)CC1CCCN1C3.
What is the InChIKey of 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol?
The InChIKey is IPEYRWVHYYVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-26-20-10-16-17(11-21(20)27-2)22-14(6-7-19(25)23(22)28-3)15-9-13-5-4-8-24(13)12-18(15)16/h6-7,10-11,13,25H,4-5,8-9,12H2,1-3H3.
What are the key properties of 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol?
4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol has a molecular weight of 379.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol is sourced from PubChem (CID 59452495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).