1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene

C18H20O — CID 58664971

IUPAC1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene
SMILESCCOc1ccc(C=CCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O/c1-3-19-18-13-11-17(12-14-18)6-4-5-16-9-7-15(2)8-10-16/h4,6-14H,3,5H2,1-2H3
InChIKeyIFOCLLGVYKDHGA-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.65
Rot. Bonds5

About 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene

1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene (PubChem CID 58664971) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene
PubChem CID58664971
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene
SMILESCCOc1ccc(C=CCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O/c1-3-19-18-13-11-17(12-14-18)6-4-5-16-9-7-15(2)8-10-16/h4,6-14H,3,5H2,1-2H3
InChIKeyIFOCLLGVYKDHGA-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
1-chloro-4-[(E)-3-(4-methylphenyl)prop-1-enyl]benzene
CID 25149973
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374
1-(3-azidoprop-1-enyl)-4-ethoxybenzene
CID 151962679
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
1-ethoxy-4-[4-(2-fluoroethenyl)phenyl]benzene
CID 67859123
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene?
The IUPAC name of 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene (CID 58664971) is 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene is CCOc1ccc(C=CCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene?
The InChIKey is IFOCLLGVYKDHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-19-18-13-11-17(12-14-18)6-4-5-16-9-7-15(2)8-10-16/h4,6-14H,3,5H2,1-2H3.
What are the key properties of 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene?
1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene has a molecular weight of 252.36 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 58664971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).