1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene

C18H20 — CID 144573777

IUPAC1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(-c2cccc(C)c2)ccc1CC
InChIInChI=1S/C18H20/c1-4-7-16-13-18(11-10-15(16)5-2)17-9-6-8-14(3)12-17/h4,6-13H,5H2,1-3H3/b7-4-
InChIKeyOCDHIMJGYRFCGI-DAXSKMNVSA-N
MW236.36 g/mol
LogP5.26
Rot. Bonds3

About 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene

1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene (PubChem CID 144573777) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene
PubChem CID144573777
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(-c2cccc(C)c2)ccc1CC
InChIInChI=1S/C18H20/c1-4-7-16-13-18(11-10-15(16)5-2)17-9-6-8-14(3)12-17/h4,6-13H,5H2,1-3H3/b7-4-
InChIKeyOCDHIMJGYRFCGI-DAXSKMNVSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene (CID 144573777) is 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene is C/C=C\c1cc(-c2cccc(C)c2)ccc1CC.
What is the InChIKey of 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is OCDHIMJGYRFCGI-DAXSKMNVSA-N. The full InChI is InChI=1S/C18H20/c1-4-7-16-13-18(11-10-15(16)5-2)17-9-6-8-14(3)12-17/h4,6-13H,5H2,1-3H3/b7-4-.
What are the key properties of 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene?
1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylphenyl)-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 144573777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).