1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene

C24H30O2S — CID 6436127

IUPAC1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
SMILESC/C(=C\c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H30O2S/c1-17(15-18-7-10-20(11-8-18)27(6,25)26)19-9-12-21-22(16-19)24(4,5)14-13-23(21,2)3/h7-12,15-16H,13-14H2,1-6H3/b17-15+
InChIKeyAUCWKKVIBKHRED-BMRADRMJSA-N
MW382.57 g/mol
LogP6.00
Rot. Bonds3

About 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene (PubChem CID 6436127) has the molecular formula C24H30O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
PubChem CID6436127
Molecular FormulaC24H30O2S
Molecular Weight382.57 g/mol
Exact Mass382.20
IUPAC Name1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
SMILESC/C(=C\c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H30O2S/c1-17(15-18-7-10-20(11-8-18)27(6,25)26)19-9-12-21-22(16-19)24(4,5)14-13-23(21,2)3/h7-12,15-16H,13-14H2,1-6H3/b17-15+
InChIKeyAUCWKKVIBKHRED-BMRADRMJSA-N
XLogP6.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Etarotene
CID 6435463
1-Methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10403254
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412
4-[2-(4-Fluoro-2-methylphenyl)cyclopent-1-en-1-yl]phenyl methyl sulfone
CID 9945403
1,2-Difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
CID 10546567
1,2-Difluoro-4-(3,4-dimethylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10595453
5-(4-Methanesulfonyl-phenyl)-6-p-tolyl-spiro[2.4]hept-5-ene
CID 10759467
1,2-Difluoro-4-(4-fluoro-3-methylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10809519
1,2-Difluoro-4-(4-methylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10832238
1,3,5-Trimethyl-2-(2,4,5-Trimethyl-Benzenesulfonyl)-Benzene
CID 71561951
(2-(4-(Methylsulfonyl)phenyl)hex-1-ene-1,1-diyl)dibenzene
CID 10408088
1-[(E)-1-hexyl-2-phenylvinyl]-4-(methylsulfonyl)benzene
CID 10472572

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene (CID 6436127) is 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene is C/C(=C\c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene?
The InChIKey is AUCWKKVIBKHRED-BMRADRMJSA-N. The full InChI is InChI=1S/C24H30O2S/c1-17(15-18-7-10-20(11-8-18)27(6,25)26)19-9-12-21-22(16-19)24(4,5)14-13-23(21,2)3/h7-12,15-16H,13-14H2,1-6H3/b17-15+.
What are the key properties of 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene has a molecular weight of 382.57 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-[(E)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene is sourced from PubChem (CID 6436127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).