ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene

C22H32 — CID 91583110

IUPACethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
SMILESCC.CC.CC(=C(C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H20.2C2H6/c1-13-5-9-17(10-6-13)15(3)16(4)18-11-7-14(2)8-12-18;2*1-2/h5-12H,1-4H3;2*1-2H3
InChIKeyWYTIOIXSWDPTRX-UHFFFAOYSA-N
MW296.50 g/mol
LogP7.31
Rot. Bonds2

About ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene

ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene (PubChem CID 91583110) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
PubChem CID91583110
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Nameethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
SMILESCC.CC.CC(=C(C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H20.2C2H6/c1-13-5-9-17(10-6-13)15(3)16(4)18-11-7-14(2)8-12-18;2*1-2/h5-12H,1-4H3;2*1-2H3
InChIKeyWYTIOIXSWDPTRX-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanol;1,4-xylene
CID 171074418
ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene
CID 142494445
(E)-2,3-bis(4-methylphenyl)but-2-enoic acid
CID 137447893
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
CID 132538169
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
ethane;4-methylbenzoyl iodide
CID 142151570
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene?
The IUPAC name of ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene (CID 91583110) is ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene?
The canonical SMILES for ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene is CC.CC.CC(=C(C)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene?
The InChIKey is WYTIOIXSWDPTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.2C2H6/c1-13-5-9-17(10-6-13)15(3)16(4)18-11-7-14(2)8-12-18;2*1-2/h5-12H,1-4H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene?
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene has a molecular weight of 296.50 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene is sourced from PubChem (CID 91583110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).