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

C17H18O — CID 166924587

IUPAC1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene
SMILESC/C=C/c1cccc(-c2ccc(OCC)cc2)c1
InChIInChI=1S/C17H18O/c1-3-6-14-7-5-8-16(13-14)15-9-11-17(12-10-15)18-4-2/h3,5-13H,4H2,1-2H3/b6-3+
InChIKeyZQPZGCZAYXUQTC-ZZXKWVIFSA-N
MW238.33 g/mol
LogP4.79
Rot. Bonds4

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

1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene (PubChem CID 166924587) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene
PubChem CID166924587
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene
SMILESC/C=C/c1cccc(-c2ccc(OCC)cc2)c1
InChIInChI=1S/C17H18O/c1-3-6-14-7-5-8-16(13-14)15-9-11-17(12-10-15)18-4-2/h3,5-13H,4H2,1-2H3/b6-3+
InChIKeyZQPZGCZAYXUQTC-ZZXKWVIFSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[(Z)-prop-1-enyl]phenyl]aniline
CID 170153555
1-hexoxy-3-[4-[(Z)-prop-1-enyl]phenyl]benzene;hydroiodide
CID 142267650
1-[3-(4-ethoxyphenyl)phenyl]ethanamine
CID 54912028
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
1-ethoxy-4-[4-(2-fluoroethenyl)phenyl]benzene
CID 67859123
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
CID 139863903
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
CID 94278974
1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
CID 3584432
bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane
CID 134939230

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene?
The IUPAC name of 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene (CID 166924587) is 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene?
The canonical SMILES for 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene is C/C=C/c1cccc(-c2ccc(OCC)cc2)c1.
What is the InChIKey of 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene?
The InChIKey is ZQPZGCZAYXUQTC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H18O/c1-3-6-14-7-5-8-16(13-14)15-9-11-17(12-10-15)18-4-2/h3,5-13H,4H2,1-2H3/b6-3+.
What are the key properties of 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene?
1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene has a molecular weight of 238.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene is sourced from PubChem (CID 166924587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).