5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane

C25H36S — CID 155718336

IUPAC5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane
SMILESC=C(CC1CCc2cc(C)ccc21)c1ccc(C)cc1.CCC.CSC
InChIInChI=1S/C20H22.C3H8.C2H6S/c1-14-4-7-17(8-5-14)16(3)13-19-10-9-18-12-15(2)6-11-20(18)19;2*1-3-2/h4-8,11-12,19H,3,9-10,13H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyPWVULKQYMWGIAX-UHFFFAOYSA-N
MW368.63 g/mol
LogP7.83
Rot. Bonds3

About 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane

5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane (PubChem CID 155718336) has the molecular formula C25H36S and a molecular weight of 368.63 g/mol. Its IUPAC name is 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane.

Molecular Properties

Compound Name5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane
PubChem CID155718336
Molecular FormulaC25H36S
Molecular Weight368.63 g/mol
Exact Mass368.25
IUPAC Name5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane
SMILESC=C(CC1CCc2cc(C)ccc21)c1ccc(C)cc1.CCC.CSC
InChIInChI=1S/C20H22.C3H8.C2H6S/c1-14-4-7-17(8-5-14)16(3)13-19-10-9-18-12-15(2)6-11-20(18)19;2*1-3-2/h4-8,11-12,19H,3,9-10,13H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyPWVULKQYMWGIAX-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane with MolForge

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Related Compounds

ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948
2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105435841
N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115891128
3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
CID 143462508
(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
CID 105429222
ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
CID 162687970
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
N-butan-2-yl-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115705716
2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622892
2,6-dimethyl-2-(4-methylphenyl)-3,4-dihydro-1H-naphthalen-1-ol
CID 23537896
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane?
The IUPAC name of 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane (CID 155718336) is 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane.
What is the SMILES notation for 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane?
The canonical SMILES for 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane is C=C(CC1CCc2cc(C)ccc21)c1ccc(C)cc1.CCC.CSC.
What is the InChIKey of 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane?
The InChIKey is PWVULKQYMWGIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22.C3H8.C2H6S/c1-14-4-7-17(8-5-14)16(3)13-19-10-9-18-12-15(2)6-11-20(18)19;2*1-3-2/h4-8,11-12,19H,3,9-10,13H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane?
5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane has a molecular weight of 368.63 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane is sourced from PubChem (CID 155718336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).