6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene

C15H22O3S — CID 10912995

IUPAC6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc2c(c(OC)c1)C(C(OC)SC)CCC2
InChIInChI=1S/C15H22O3S/c1-16-11-8-10-6-5-7-12(15(18-3)19-4)14(10)13(9-11)17-2/h8-9,12,15H,5-7H2,1-4H3
InChIKeyMFIKPUGHLHDORP-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.46
Rot. Bonds5

About 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene

6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 10912995) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID10912995
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc2c(c(OC)c1)C(C(OC)SC)CCC2
InChIInChI=1S/C15H22O3S/c1-16-11-8-10-6-5-7-12(15(18-3)19-4)14(10)13(9-11)17-2/h8-9,12,15H,5-7H2,1-4H3
InChIKeyMFIKPUGHLHDORP-UHFFFAOYSA-N
XLogP3.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
(1R)-8-iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131111271
5,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383413
(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene
CID 56654264
(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 129392139
1-chloro-7-methoxy-1,2,3,3a,4,5-hexahydroacenaphthylene
CID 63821201
(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde
CID 164666012
(1R)-6-bromo-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131146254
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
(2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one
CID 11012646
(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486481
(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169849

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 10912995) is 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene is COc1cc2c(c(OC)c1)C(C(OC)SC)CCC2.
What is the InChIKey of 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MFIKPUGHLHDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-16-11-8-10-6-5-7-12(15(18-3)19-4)14(10)13(9-11)17-2/h8-9,12,15H,5-7H2,1-4H3.
What are the key properties of 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 282.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 10912995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).