benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene

C25H26 — CID 142453326

IUPACbenzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(/C=C\C)c1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.C12H14/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-4-6-11-7-5-8-12(9-11)10(2)3/h1-10H,11H2;4-9H,2H2,1,3H3/b;6-4-
InChIKeyPOVPNBHYBJMYHN-QQLTZMNSSA-N
MW326.48 g/mol
LogP7.03
Rot. Bonds4

About benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene

benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene (PubChem CID 142453326) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Namebenzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
PubChem CID142453326
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Namebenzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(/C=C\C)c1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.C12H14/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-4-6-11-7-5-8-12(9-11)10(2)3/h1-10H,11H2;4-9H,2H2,1,3H3/b;6-4-
InChIKeyPOVPNBHYBJMYHN-QQLTZMNSSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid
CID 154271010
1-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-3-prop-1-en-2-ylbenzene
CID 153358838
(3-prop-1-enylphenyl)methanol
CID 73411411
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652
(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 18509453
ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane
CID 142947076
2-hydroxy-1-(3-prop-1-enylphenyl)ethanone
CID 70610552
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
3-prop-1-enylbenzamide
CID 70146317
1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene
CID 70107802
2-phenylethenol;prop-1-en-2-ylbenzene
CID 162256801

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene?
The IUPAC name of benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene (CID 142453326) is benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene?
The canonical SMILES for benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(/C=C\C)c1.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene?
The InChIKey is POVPNBHYBJMYHN-QQLTZMNSSA-N. The full InChI is InChI=1S/C13H12.C12H14/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-4-6-11-7-5-8-12(9-11)10(2)3/h1-10H,11H2;4-9H,2H2,1,3H3/b;6-4-.
What are the key properties of benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene?
benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene has a molecular weight of 326.48 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 142453326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).