1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene

C22H26S — CID 177431407

IUPAC1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(C=CSc3ccccc3)ccc21
InChIInChI=1S/C22H26S/c1-21(2)13-14-22(3,4)20-16-17(10-11-19(20)21)12-15-23-18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3
InChIKeyLANDVPBUHRFFGJ-UHFFFAOYSA-N
MW322.52 g/mol
LogP6.80
Rot. Bonds3

About 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene (PubChem CID 177431407) has the molecular formula C22H26S and a molecular weight of 322.52 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene
PubChem CID177431407
Molecular FormulaC22H26S
Molecular Weight322.52 g/mol
Exact Mass322.18
IUPAC Name1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(C=CSc3ccccc3)ccc21
InChIInChI=1S/C22H26S/c1-21(2)13-14-22(3,4)20-16-17(10-11-19(20)21)12-15-23-18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3
InChIKeyLANDVPBUHRFFGJ-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene
CID 101087117
3-[(Z)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]aniline
CID 11722654
2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol
CID 54120103
2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene
CID 67935167
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone
CID 101423870
1,1,4,4-tetramethyl-6-[(Z)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 18990095
1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 14425582
[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]phosphonic acid
CID 70356504
methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
CID 123594241
6-[2-(4-chlorophenyl)prop-1-enyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 54469191

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene (CID 177431407) is 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(C=CSc3ccccc3)ccc21.
What is the InChIKey of 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene?
The InChIKey is LANDVPBUHRFFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26S/c1-21(2)13-14-22(3,4)20-16-17(10-11-19(20)21)12-15-23-18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene has a molecular weight of 322.52 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-(2-phenylsulfanylethenyl)-2,3-dihydronaphthalene is sourced from PubChem (CID 177431407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).