ethane;[(E)-3-phenylprop-1-enyl]benzene

C19H26 — CID 143041114

IUPACethane;[(E)-3-phenylprop-1-enyl]benzene
SMILESC(=C/c1ccccc1)\Cc1ccccc1.CC.CC
InChIInChI=1S/C15H14.2C2H6/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;2*1-2/h1-12H,13H2;2*1-2H3/b12-7+;;
InChIKeyPTEGMMYOGKMIQP-CURPJKDSSA-N
MW254.42 g/mol
LogP5.99
Rot. Bonds3

About ethane;[(E)-3-phenylprop-1-enyl]benzene

ethane;[(E)-3-phenylprop-1-enyl]benzene (PubChem CID 143041114) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is ethane;[(E)-3-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Nameethane;[(E)-3-phenylprop-1-enyl]benzene
PubChem CID143041114
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Nameethane;[(E)-3-phenylprop-1-enyl]benzene
SMILESC(=C/c1ccccc1)\Cc1ccccc1.CC.CC
InChIInChI=1S/C15H14.2C2H6/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;2*1-2/h1-12H,13H2;2*1-2H3/b12-7+;;
InChIKeyPTEGMMYOGKMIQP-CURPJKDSSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
3-[(E)-3-phenylprop-2-enyl]pyridine
CID 13437688
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-[(E)-3-phenylprop-2-enyl]furan
CID 132560441
benzene;but-1-enylbenzene
CID 157481332
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene
CID 70518240
3-benzylsulfanylprop-1-enylbenzene
CID 71388292

Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-3-phenylprop-1-enyl]benzene?
The IUPAC name of ethane;[(E)-3-phenylprop-1-enyl]benzene (CID 143041114) is ethane;[(E)-3-phenylprop-1-enyl]benzene.
What is the SMILES notation for ethane;[(E)-3-phenylprop-1-enyl]benzene?
The canonical SMILES for ethane;[(E)-3-phenylprop-1-enyl]benzene is C(=C/c1ccccc1)\Cc1ccccc1.CC.CC.
What is the InChIKey of ethane;[(E)-3-phenylprop-1-enyl]benzene?
The InChIKey is PTEGMMYOGKMIQP-CURPJKDSSA-N. The full InChI is InChI=1S/C15H14.2C2H6/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;2*1-2/h1-12H,13H2;2*1-2H3/b12-7+;;.
What are the key properties of ethane;[(E)-3-phenylprop-1-enyl]benzene?
ethane;[(E)-3-phenylprop-1-enyl]benzene has a molecular weight of 254.42 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-3-phenylprop-1-enyl]benzene is sourced from PubChem (CID 143041114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).