1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane

C20H26 — CID 142406851

IUPAC1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane
SMILESC=C(CCc1cc(C)ccc1C)c1ccccc1.CC
InChIInChI=1S/C18H20.C2H6/c1-14-9-10-16(3)18(13-14)12-11-15(2)17-7-5-4-6-8-17;1-2/h4-10,13H,2,11-12H2,1,3H3;1-2H3
InChIKeyQNPWUOMUZSAHER-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.98
Rot. Bonds4

About 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane

1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane (PubChem CID 142406851) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane.

Molecular Properties

Compound Name1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane
PubChem CID142406851
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane
SMILESC=C(CCc1cc(C)ccc1C)c1ccccc1.CC
InChIInChI=1S/C18H20.C2H6/c1-14-9-10-16(3)18(13-14)12-11-15(2)17-7-5-4-6-8-17;1-2/h4-10,13H,2,11-12H2,1,3H3;1-2H3
InChIKeyQNPWUOMUZSAHER-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine
CID 145303326
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340
6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 91208052
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
pent-1-en-2-ylbenzene
CID 521761
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
cesium 4-(2,5-dimethylphenyl)butanoate
CID 140689556
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene
CID 144628046
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane?
The IUPAC name of 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane (CID 142406851) is 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane.
What is the SMILES notation for 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane?
The canonical SMILES for 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane is C=C(CCc1cc(C)ccc1C)c1ccccc1.CC.
What is the InChIKey of 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane?
The InChIKey is QNPWUOMUZSAHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.C2H6/c1-14-9-10-16(3)18(13-14)12-11-15(2)17-7-5-4-6-8-17;1-2/h4-10,13H,2,11-12H2,1,3H3;1-2H3.
What are the key properties of 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane?
1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane has a molecular weight of 266.43 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane is sourced from PubChem (CID 142406851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).