1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene

C17H24O2S — CID 90005449

IUPAC1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene
SMILESCOC1=c2ccccc2=C(SCC(C)OC(C)C)CC1
InChIInChI=1S/C17H24O2S/c1-12(2)19-13(3)11-20-17-10-9-16(18-4)14-7-5-6-8-15(14)17/h5-8,12-13H,9-11H2,1-4H3
InChIKeyLMIIGWUKCWBAFW-UHFFFAOYSA-N
MW292.44 g/mol
LogP2.89
Rot. Bonds6

About 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene

1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene (PubChem CID 90005449) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene
PubChem CID90005449
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene
SMILESCOC1=c2ccccc2=C(SCC(C)OC(C)C)CC1
InChIInChI=1S/C17H24O2S/c1-12(2)19-13(3)11-20-17-10-9-16(18-4)14-7-5-6-8-15(14)17/h5-8,12-13H,9-11H2,1-4H3
InChIKeyLMIIGWUKCWBAFW-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene?
The IUPAC name of 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene (CID 90005449) is 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene.
What is the SMILES notation for 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene?
The canonical SMILES for 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene is COC1=c2ccccc2=C(SCC(C)OC(C)C)CC1.
What is the InChIKey of 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene?
The InChIKey is LMIIGWUKCWBAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-12(2)19-13(3)11-20-17-10-9-16(18-4)14-7-5-6-8-15(14)17/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene?
1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene has a molecular weight of 292.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene is sourced from PubChem (CID 90005449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).