[13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol

C23H21NO2 — CID 162671880

IUPAC[13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol
SMILESCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3c3ccccc13)C2
InChIInChI=1S/C23H21NO2/c1-14-21(12-25)22(13-26)23-10-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20(19)11-24(14)23/h2-9,25-26H,10-13H2,1H3
InChIKeyVOAQZZCNCGIJHB-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.04
Rot. Bonds2

About [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol

[13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol (PubChem CID 162671880) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol.

Molecular Properties

Compound Name[13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol
PubChem CID162671880
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name[13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol
SMILESCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3c3ccccc13)C2
InChIInChI=1S/C23H21NO2/c1-14-21(12-25)22(13-26)23-10-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20(19)11-24(14)23/h2-9,25-26H,10-13H2,1H3
InChIKeyVOAQZZCNCGIJHB-UHFFFAOYSA-N
XLogP4.04
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol?
The IUPAC name of [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol (CID 162671880) is [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol.
What is the SMILES notation for [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol?
The canonical SMILES for [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol is Cc1c(CO)c(CO)c2n1Cc1c(c3ccccc3c3ccccc13)C2.
What is the InChIKey of [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol?
The InChIKey is VOAQZZCNCGIJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-14-21(12-25)22(13-26)23-10-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20(19)11-24(14)23/h2-9,25-26H,10-13H2,1H3.
What are the key properties of [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol?
[13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol has a molecular weight of 343.43 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [13-(hydroxymethyl)-11-methyl-9,14-dihydrophenanthro[9,10-f]indolizin-12-yl]methanol is sourced from PubChem (CID 162671880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).