[10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol

C25H31NO4 — CID 58349663

IUPAC[10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol
SMILESCOc1cc2c3c(c4cc(OC)c(CO)cc4c2cc1CO)CN(CC(C)C)CC3
InChIInChI=1S/C25H31NO4/c1-15(2)11-26-6-5-18-21-9-24(29-3)16(13-27)7-19(21)20-8-17(14-28)25(30-4)10-22(20)23(18)12-26/h7-10,15,27-28H,5-6,11-14H2,1-4H3
InChIKeyIXAHWJWDIGISAC-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.01
Rot. Bonds6

About [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol

[10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol (PubChem CID 58349663) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol
PubChem CID58349663
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name[10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol
SMILESCOc1cc2c3c(c4cc(OC)c(CO)cc4c2cc1CO)CN(CC(C)C)CC3
InChIInChI=1S/C25H31NO4/c1-15(2)11-26-6-5-18-21-9-24(29-3)16(13-27)7-19(21)20-8-17(14-28)25(30-4)10-22(20)23(18)12-26/h7-10,15,27-28H,5-6,11-14H2,1-4H3
InChIKeyIXAHWJWDIGISAC-UHFFFAOYSA-N
XLogP4.01
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450218
6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450217
5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole
CID 71458168
(13R,14aS)-3,6-bis(hydroxymethyl)-2-methoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-13-ol
CID 129175488
[(13aS)-3-amino-7-methoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-6-yl]methanol
CID 58399034
3-[2-(diethylamino)propyl]-8,9-dimethoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one;dihydrochloride
CID 13136997
1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 166693261
(13aS)-6-(hydroxymethyl)-7-methoxy-3-methyl-12,13,13a,14-tetrahydro-9H-phenanthro[9,10-f]indolizin-11-one
CID 89085736
8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
CID 13136983
6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 88926885
2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 110457131
N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956744

Frequently Asked Questions

What is the IUPAC name of [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol?
The IUPAC name of [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol (CID 58349663) is [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol.
What is the SMILES notation for [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol?
The canonical SMILES for [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol is COc1cc2c3c(c4cc(OC)c(CO)cc4c2cc1CO)CN(CC(C)C)CC3.
What is the InChIKey of [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol?
The InChIKey is IXAHWJWDIGISAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4/c1-15(2)11-26-6-5-18-21-9-24(29-3)16(13-27)7-19(21)20-8-17(14-28)25(30-4)10-22(20)23(18)12-26/h7-10,15,27-28H,5-6,11-14H2,1-4H3.
What are the key properties of [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol?
[10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol has a molecular weight of 409.53 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol is sourced from PubChem (CID 58349663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).