3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol

C18H20OS — CID 10731804

IUPAC3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol
SMILESCSC1c2cccc(C)c2-c2c(C)cccc2CC1O
InChIInChI=1S/C18H20OS/c1-11-6-4-8-13-10-15(19)18(20-3)14-9-5-7-12(2)17(14)16(11)13/h4-9,15,18-19H,10H2,1-3H3
InChIKeyYAQAGCQWCGDYPV-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.29
Rot. Bonds1

About 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol

3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol (PubChem CID 10731804) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol.

Molecular Properties

Compound Name3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol
PubChem CID10731804
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol
SMILESCSC1c2cccc(C)c2-c2c(C)cccc2CC1O
InChIInChI=1S/C18H20OS/c1-11-6-4-8-13-10-15(19)18(20-3)14-9-5-7-12(2)17(14)16(11)13/h4-9,15,18-19H,10H2,1-3H3
InChIKeyYAQAGCQWCGDYPV-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-5-methyl-9H-fluoren-9-ol
CID 23235356
4,5-dimethyl-9H-fluorene
CID 14389533
4,10-dimethyl-9,10-dihydrophenanthrene
CID 144612931
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
4,5,9-trimethyl-9H-fluorene
CID 20673052
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 582249
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
CID 139748942
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
4,9-dimethyl-4,5,9,10-tetrahydropyrene
CID 162152036
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787

Frequently Asked Questions

What is the IUPAC name of 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol?
The IUPAC name of 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol (CID 10731804) is 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol.
What is the SMILES notation for 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol?
The canonical SMILES for 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol is CSC1c2cccc(C)c2-c2c(C)cccc2CC1O.
What is the InChIKey of 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol?
The InChIKey is YAQAGCQWCGDYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-11-6-4-8-13-10-15(19)18(20-3)14-9-5-7-12(2)17(14)16(11)13/h4-9,15,18-19H,10H2,1-3H3.
What are the key properties of 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol?
3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol has a molecular weight of 284.42 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-dimethyl-8-methylsulfanyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-ol is sourced from PubChem (CID 10731804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).