7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene

C15H18OS — CID 102529815

IUPAC7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene
SMILESCOC1(C)CC=CC2c3ccccc3SCC21
InChIInChI=1S/C15H18OS/c1-15(16-2)9-5-7-11-12-6-3-4-8-14(12)17-10-13(11)15/h3-8,11,13H,9-10H2,1-2H3
InChIKeyMZSJLDVCVQLMQR-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.86
Rot. Bonds1

About 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene

7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene (PubChem CID 102529815) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene.

Molecular Properties

Compound Name7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene
PubChem CID102529815
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene
SMILESCOC1(C)CC=CC2c3ccccc3SCC21
InChIInChI=1S/C15H18OS/c1-15(16-2)9-5-7-11-12-6-3-4-8-14(12)17-10-13(11)15/h3-8,11,13H,9-10H2,1-2H3
InChIKeyMZSJLDVCVQLMQR-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene?
The IUPAC name of 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene (CID 102529815) is 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene.
What is the SMILES notation for 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene?
The canonical SMILES for 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene is COC1(C)CC=CC2c3ccccc3SCC21.
What is the InChIKey of 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene?
The InChIKey is MZSJLDVCVQLMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-15(16-2)9-5-7-11-12-6-3-4-8-14(12)17-10-13(11)15/h3-8,11,13H,9-10H2,1-2H3.
What are the key properties of 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene?
7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene has a molecular weight of 246.38 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene is sourced from PubChem (CID 102529815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).