1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene

C18H20 — CID 18968341

IUPAC1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene
SMILESCc1cccc(C(C)/C=C/c2ccccc2)c1C
InChIInChI=1S/C18H20/c1-14-8-7-11-18(16(14)3)15(2)12-13-17-9-5-4-6-10-17/h4-13,15H,1-3H3/b13-12+
InChIKeyLRMZZNZZEVGZOB-OUKQBFOZSA-N
MW236.36 g/mol
LogP5.12
Rot. Bonds3

About 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene

1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene (PubChem CID 18968341) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene
PubChem CID18968341
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene
SMILESCc1cccc(C(C)/C=C/c2ccccc2)c1C
InChIInChI=1S/C18H20/c1-14-8-7-11-18(16(14)3)15(2)12-13-17-9-5-4-6-10-17/h4-13,15H,1-3H3/b13-12+
InChIKeyLRMZZNZZEVGZOB-OUKQBFOZSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene
CID 102229934
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
3-[(E,3S)-3-(2-methylphenyl)but-1-enyl]furan
CID 166448280
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
1-(2,3-dimethylphenyl)ethyl-diphenylphosphane
CID 174399183
7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
CID 122373983
[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate
CID 118487629
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
CID 13105628
[(2,3-dimethylphenyl)-phenylmethyl]phosphane
CID 67637455

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene?
The IUPAC name of 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene (CID 18968341) is 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene?
The canonical SMILES for 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene is Cc1cccc(C(C)/C=C/c2ccccc2)c1C.
What is the InChIKey of 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene?
The InChIKey is LRMZZNZZEVGZOB-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H20/c1-14-8-7-11-18(16(14)3)15(2)12-13-17-9-5-4-6-10-17/h4-13,15H,1-3H3/b13-12+.
What are the key properties of 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene?
1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene has a molecular weight of 236.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene is sourced from PubChem (CID 18968341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).