1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene

C20H22 — CID 144614062

IUPAC1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene
SMILESC=Cc1cccc(Cc2cc(C)cc(C)c2)c1/C=C\C
InChIInChI=1S/C20H22/c1-5-8-20-18(6-2)9-7-10-19(20)14-17-12-15(3)11-16(4)13-17/h5-13H,2,14H2,1,3-4H3/b8-5-
InChIKeyTXJSJBAYFZGKDP-YVMONPNESA-N
MW262.40 g/mol
LogP5.57
Rot. Bonds4

About 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene

1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene (PubChem CID 144614062) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene
PubChem CID144614062
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene
SMILESC=Cc1cccc(Cc2cc(C)cc(C)c2)c1/C=C\C
InChIInChI=1S/C20H22/c1-5-8-20-18(6-2)9-7-10-19(20)14-17-12-15(3)11-16(4)13-17/h5-13H,2,14H2,1,3-4H3/b8-5-
InChIKeyTXJSJBAYFZGKDP-YVMONPNESA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene (CID 144614062) is 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene is C=Cc1cccc(Cc2cc(C)cc(C)c2)c1/C=C\C.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is TXJSJBAYFZGKDP-YVMONPNESA-N. The full InChI is InChI=1S/C20H22/c1-5-8-20-18(6-2)9-7-10-19(20)14-17-12-15(3)11-16(4)13-17/h5-13H,2,14H2,1,3-4H3/b8-5-.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene?
1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 262.40 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 144614062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).