ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane

C30H40 — CID 142947076

IUPACethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane
SMILESC/C=C\c1cccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)c1.CC.CCC
InChIInChI=1S/C25H26.C3H8.C2H6/c1-3-6-21-7-5-8-25(18-21)19-24-15-13-23(14-16-24)17-22-11-9-20(4-2)10-12-22;1-3-2;1-2/h3,5-16,18H,4,17,19H2,1-2H3;3H2,1-2H3;1-2H3/b6-3-;;
InChIKeyYQEGZTHJGSWQBI-OBEZLJEISA-N
MW400.65 g/mol
LogP8.91
Rot. Bonds6

About ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane

ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane (PubChem CID 142947076) has the molecular formula C30H40 and a molecular weight of 400.65 g/mol. Its IUPAC name is ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane.

Molecular Properties

Compound Nameethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane
PubChem CID142947076
Molecular FormulaC30H40
Molecular Weight400.65 g/mol
Exact Mass400.31
IUPAC Nameethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane
SMILESC/C=C\c1cccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)c1.CC.CCC
InChIInChI=1S/C25H26.C3H8.C2H6/c1-3-6-21-7-5-8-25(18-21)19-24-15-13-23(14-16-24)17-22-11-9-20(4-2)10-12-22;1-3-2;1-2/h3,5-16,18H,4,17,19H2,1-2H3;3H2,1-2H3;1-2H3/b6-3-;;
InChIKeyYQEGZTHJGSWQBI-OBEZLJEISA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene
CID 70107802
1-[(Z)-prop-1-enyl]-3-propylbenzene
CID 144823919
(3-prop-1-enylphenyl)methanol
CID 73411411
benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
CID 142453326
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
1-benzyl-4-ethylbenzene;methane
CID 144571765
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
4-(3-ethylphenyl)but-3-en-2-one
CID 174630959
benzaldehyde;ethane;ethylbenzene
CID 161150062
carbanide;ethane;bis(1-ethyl-4-[(4-ethylphenyl)methyl]benzene);methane;bis(rhodium)
CID 160998250

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane?
The IUPAC name of ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane (CID 142947076) is ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane.
What is the SMILES notation for ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane?
The canonical SMILES for ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane is C/C=C\c1cccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)c1.CC.CCC.
What is the InChIKey of ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane?
The InChIKey is YQEGZTHJGSWQBI-OBEZLJEISA-N. The full InChI is InChI=1S/C25H26.C3H8.C2H6/c1-3-6-21-7-5-8-25(18-21)19-24-15-13-23(14-16-24)17-22-11-9-20(4-2)10-12-22;1-3-2;1-2/h3,5-16,18H,4,17,19H2,1-2H3;3H2,1-2H3;1-2H3/b6-3-;;.
What are the key properties of ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane?
ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane has a molecular weight of 400.65 g/mol, XLogP of 8.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane is sourced from PubChem (CID 142947076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).