1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane

C16H22OS — CID 123814067

IUPAC1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane
SMILESCOC1=c2ccccc2=C(S2(C)CCCC2)CC1
InChIInChI=1S/C16H22OS/c1-17-15-9-10-16(18(2)11-5-6-12-18)14-8-4-3-7-13(14)15/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyZYACOJUVVBIJCL-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.57
Rot. Bonds2

About 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane

1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane (PubChem CID 123814067) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane
PubChem CID123814067
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane
SMILESCOC1=c2ccccc2=C(S2(C)CCCC2)CC1
InChIInChI=1S/C16H22OS/c1-17-15-9-10-16(18(2)11-5-6-12-18)14-8-4-3-7-13(14)15/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyZYACOJUVVBIJCL-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene
CID 90005449
5-(1-Butoxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene
CID 123377328
(4-Methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-lambda4-sulfane
CID 123876430
1-[(9S)-7,11-dimethoxy-9-methyl-9H-cyclohepta[b]naphthalen-5-yl]-1-methylthiolane
CID 126692651
1-(4-Methoxy-6,7-dihydronaphthalen-1-yl)thiolan-1-ium
CID 140711598
4-(4-Methoxy-2,3-dihydronaphthalen-1-yl)-2,6-dimethyl-1,4-oxathian-4-ium
CID 144582741
2-Tert-butyl-3a,4-dihydro-1,3-benzoxathiole
CID 176043682
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[(3Z,5Z)-5-methoxy-4-methylhepta-1,3,5-trien-2-yl]sulfanium
CID 176774457

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane?
The IUPAC name of 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane (CID 123814067) is 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane.
What is the SMILES notation for 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane?
The canonical SMILES for 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane is COC1=c2ccccc2=C(S2(C)CCCC2)CC1.
What is the InChIKey of 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane?
The InChIKey is ZYACOJUVVBIJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-17-15-9-10-16(18(2)11-5-6-12-18)14-8-4-3-7-13(14)15/h3-4,7-8H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane?
1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane has a molecular weight of 262.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane is sourced from PubChem (CID 123814067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).