6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene

C19H18O2S — CID 100948802

IUPAC6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene
SMILESCOc1cc2cc(-c3ccccc3)cc(SC)c2cc1OC
InChIInChI=1S/C19H18O2S/c1-20-17-10-15-9-14(13-7-5-4-6-8-13)11-19(22-3)16(15)12-18(17)21-2/h4-12H,1-3H3
InChIKeyUSPDTYHDYICTDV-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.25
Rot. Bonds4

About 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene

6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene (PubChem CID 100948802) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene.

Molecular Properties

Compound Name6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene
PubChem CID100948802
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene
SMILESCOc1cc2cc(-c3ccccc3)cc(SC)c2cc1OC
InChIInChI=1S/C19H18O2S/c1-20-17-10-15-9-14(13-7-5-4-6-8-13)11-19(22-3)16(15)12-18(17)21-2/h4-12H,1-3H3
InChIKeyUSPDTYHDYICTDV-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dimethoxy-4-[phenyl(phenylsulfanyl)methyl]benzene
CID 3697241
[3-Hydroxymethyl-1-(3-methanesulfonyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-naphthalen-2-yl]-methanol
CID 10479468
2-[(Z)-2-[4-methoxy-3-(2-methoxyethoxy)phenyl]ethenyl]naphthalene
CID 44388057
2-[(E)-2-[4-methoxy-3-(2-methoxyethoxy)phenyl]ethenyl]naphthalene
CID 44388080
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene
CID 73353800
6-(3,4-Dimethoxyphenyl)naphthalen-2-ol
CID 118712395
1-Methoxy-4-(4-methoxyphenyl)sulfanyl-naphthalene
CID 16226418
2,3,6-Trimethoxyphenanthrene
CID 44406173
2-(3,4-Dimethoxyphenyl)-6-methoxynaphthalene
CID 57253638
3,4,6-Trimethoxyphenanthrene
CID 86122044
2,3,6,7,10,11-Hexamethoxytriphenylene
CID 4607363
9,10-Dimethoxyphenanthrene
CID 11470439

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene?
The IUPAC name of 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene (CID 100948802) is 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene.
What is the SMILES notation for 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene?
The canonical SMILES for 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene is COc1cc2cc(-c3ccccc3)cc(SC)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene?
The InChIKey is USPDTYHDYICTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-20-17-10-15-9-14(13-7-5-4-6-8-13)11-19(22-3)16(15)12-18(17)21-2/h4-12H,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene?
6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene has a molecular weight of 310.42 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methylsulfanyl-3-phenylnaphthalene is sourced from PubChem (CID 100948802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).