7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]

C18H18O2S2 — CID 13033810

IUPAC7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]
SMILESCOc1ccc2c(c1OC)CCCC21Sc2ccccc2S1
InChIInChI=1S/C18H18O2S2/c1-19-14-10-9-13-12(17(14)20-2)6-5-11-18(13)21-15-7-3-4-8-16(15)22-18/h3-4,7-10H,5-6,11H2,1-2H3
InChIKeyZZYNXDQAUFLIOB-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.09
Rot. Bonds2

About 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]

7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene] (PubChem CID 13033810) has the molecular formula C18H18O2S2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene].

Molecular Properties

Compound Name7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]
PubChem CID13033810
Molecular FormulaC18H18O2S2
Molecular Weight330.47 g/mol
Exact Mass330.07
IUPAC Name7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]
SMILESCOc1ccc2c(c1OC)CCCC21Sc2ccccc2S1
InChIInChI=1S/C18H18O2S2/c1-19-14-10-9-13-12(17(14)20-2)6-5-11-18(13)21-15-7-3-4-8-16(15)22-18/h3-4,7-10H,5-6,11H2,1-2H3
InChIKeyZZYNXDQAUFLIOB-UHFFFAOYSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene] with MolForge

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Related Compounds

(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 93182143
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CID 146302215
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(7-methoxy-2,3-dihydro-1H-inden-4-yl)cyclopropan-1-amine
CID 84777430
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3964850
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
1-(1-ethenylcyclobutyl)-2,3,4-trimethoxybenzene
CID 68603464
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109

Frequently Asked Questions

What is the IUPAC name of 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]?
The IUPAC name of 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene] (CID 13033810) is 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene].
What is the SMILES notation for 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]?
The canonical SMILES for 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene] is COc1ccc2c(c1OC)CCCC21Sc2ccccc2S1.
What is the InChIKey of 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]?
The InChIKey is ZZYNXDQAUFLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S2/c1-19-14-10-9-13-12(17(14)20-2)6-5-11-18(13)21-15-7-3-4-8-16(15)22-18/h3-4,7-10H,5-6,11H2,1-2H3.
What are the key properties of 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]?
7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene] has a molecular weight of 330.47 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene] is sourced from PubChem (CID 13033810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).