7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene

C15H26OS — CID 126748207

IUPAC7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
SMILESCOC1CCC2C(C1)SC1C(C)C(C)CCC21
InChIInChI=1S/C15H26OS/c1-9-4-6-13-12-7-5-11(16-3)8-14(12)17-15(13)10(9)2/h9-15H,4-8H2,1-3H3
InChIKeyOQHBYSSKFFEXGC-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.97
Rot. Bonds1

About 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene

7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene (PubChem CID 126748207) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene.

Molecular Properties

Compound Name7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
PubChem CID126748207
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
SMILESCOC1CCC2C(C1)SC1C(C)C(C)CCC21
InChIInChI=1S/C15H26OS/c1-9-4-6-13-12-7-5-11(16-3)8-14(12)17-15(13)10(9)2/h9-15H,4-8H2,1-3H3
InChIKeyOQHBYSSKFFEXGC-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene with MolForge

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Related Compounds

3-methyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene-4-thiol
CID 126748281
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
4-methoxy-2-methylcyclohexan-1-amine
CID 147825198
4-methoxy-N,2-dimethylcyclohexan-1-amine
CID 146284377
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
N-(3-methoxycyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 103082803
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
CID 166889412
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
1,2,4-trimethoxycyclohexane
CID 547386
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene?
The IUPAC name of 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene (CID 126748207) is 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene.
What is the SMILES notation for 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene?
The canonical SMILES for 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene is COC1CCC2C(C1)SC1C(C)C(C)CCC21.
What is the InChIKey of 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene?
The InChIKey is OQHBYSSKFFEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-9-4-6-13-12-7-5-11(16-3)8-14(12)17-15(13)10(9)2/h9-15H,4-8H2,1-3H3.
What are the key properties of 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene?
7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene has a molecular weight of 254.44 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene is sourced from PubChem (CID 126748207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).