methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol

C24H37NO2 — CID 139069804

IUPACmethanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol
SMILESCO.C[C@@H]1c2cccnc2C[C@H]2CC[C@@H]3[C@H]4CC[C@@H](O)[C@]4(C)CC[C@H]3[C@@]21C
InChIInChI=1S/C23H33NO.CH4O/c1-14-16-5-4-12-24-20(16)13-15-6-7-17-18-8-9-21(25)22(18,2)11-10-19(17)23(14,15)3;1-2/h4-5,12,14-15,17-19,21,25H,6-11,13H2,1-3H3;2H,1H3/t14-,15-,17-,18-,19-,21-,22-,23-;/m1./s1
InChIKeyVOHNOLCSXULOQF-JQSGQHQISA-N
MW371.57 g/mol
LogP4.57
Rot. Bonds

About methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol

methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol (PubChem CID 139069804) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol.

Molecular Properties

Compound Namemethanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol
PubChem CID139069804
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Namemethanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol
SMILESCO.C[C@@H]1c2cccnc2C[C@H]2CC[C@@H]3[C@H]4CC[C@@H](O)[C@]4(C)CC[C@H]3[C@@]21C
InChIInChI=1S/C23H33NO.CH4O/c1-14-16-5-4-12-24-20(16)13-15-6-7-17-18-8-9-21(25)22(18,2)11-10-19(17)23(14,15)3;1-2/h4-5,12,14-15,17-19,21,25H,6-11,13H2,1-3H3;2H,1H3/t14-,15-,17-,18-,19-,21-,22-,23-;/m1./s1
InChIKeyVOHNOLCSXULOQF-JQSGQHQISA-N
XLogP4.57
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol with MolForge

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Related Compounds

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CID 51066539
(1S,5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 11869653
(1R,5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 99568066
(1S,2S,11S,12S,15S,16S)-15-hydroxy-2,16-dimethyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadecan-6-one
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CID 122361348
(8R,9R,10R,13S,14S)-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 70359451
(8R,9S,10R,13S,14S,17S)-1-ethenyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 174483993
(1S,3R,5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
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(1S,2S,5R,6S,9S,10S,13S)-1,5-dimethyl-16,18,20,21-tetrazahexacyclo[11.11.0.02,10.05,9.015,23.017,21]tetracosa-15,17,19,22-tetraen-6-ol
CID 92967293
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(3aR,5aR,6R)-6-hydroxy-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-2-one
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CID 99568972

Frequently Asked Questions

What is the IUPAC name of methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol?
The IUPAC name of methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol (CID 139069804) is methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol.
What is the SMILES notation for methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol?
The canonical SMILES for methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol is CO.C[C@@H]1c2cccnc2C[C@H]2CC[C@@H]3[C@H]4CC[C@@H](O)[C@]4(C)CC[C@H]3[C@@]21C.
What is the InChIKey of methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol?
The InChIKey is VOHNOLCSXULOQF-JQSGQHQISA-N. The full InChI is InChI=1S/C23H33NO.CH4O/c1-14-16-5-4-12-24-20(16)13-15-6-7-17-18-8-9-21(25)22(18,2)11-10-19(17)23(14,15)3;1-2/h4-5,12,14-15,17-19,21,25H,6-11,13H2,1-3H3;2H,1H3/t14-,15-,17-,18-,19-,21-,22-,23-;/m1./s1.
What are the key properties of methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol?
methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol has a molecular weight of 371.57 g/mol, XLogP of 4.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(1R,2R,5R,6R,9R,10S,13R,21S)-1,5,21-trimethyl-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-trien-6-ol is sourced from PubChem (CID 139069804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).