4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol

C13H18OS — CID 11790799

IUPAC4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol
SMILESCSc1cc(O)cc2c1CCCCCC2
InChIInChI=1S/C13H18OS/c1-15-13-9-11(14)8-10-6-4-2-3-5-7-12(10)13/h8-9,14H,2-7H2,1H3
InChIKeyUOOCAICISXVTGE-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.77
Rot. Bonds1

About 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol

4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol (PubChem CID 11790799) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol.

Molecular Properties

Compound Name4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol
PubChem CID11790799
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol
SMILESCSc1cc(O)cc2c1CCCCCC2
InChIInChI=1S/C13H18OS/c1-15-13-9-11(14)8-10-6-4-2-3-5-7-12(10)13/h8-9,14H,2-7H2,1H3
InChIKeyUOOCAICISXVTGE-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-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-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol?
The IUPAC name of 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol (CID 11790799) is 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol.
What is the SMILES notation for 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol?
The canonical SMILES for 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol is CSc1cc(O)cc2c1CCCCCC2.
What is the InChIKey of 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol?
The InChIKey is UOOCAICISXVTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-15-13-9-11(14)8-10-6-4-2-3-5-7-12(10)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol?
4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol has a molecular weight of 222.35 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol is sourced from PubChem (CID 11790799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).