2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene

C21H24O2 — CID 134533412

IUPAC2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCC)c(Oc2ccc(/C(C)=C/C)cc2)c1
InChIInChI=1S/C21H24O2/c1-5-8-17-9-14-20(22-7-3)21(15-17)23-19-12-10-18(11-13-19)16(4)6-2/h5-6,8-15H,7H2,1-4H3/b8-5+,16-6+
InChIKeyDKGSJCOVTZVQCH-QOADDIPNSA-N
MW308.42 g/mol
LogP6.33
Rot. Bonds6

About 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene

2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 134533412) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID134533412
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCC)c(Oc2ccc(/C(C)=C/C)cc2)c1
InChIInChI=1S/C21H24O2/c1-5-8-17-9-14-20(22-7-3)21(15-17)23-19-12-10-18(11-13-19)16(4)6-2/h5-6,8-15H,7H2,1-4H3/b8-5+,16-6+
InChIKeyDKGSJCOVTZVQCH-QOADDIPNSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
CID 46865359
1-ethoxy-2-fluoro-4-prop-1-enylbenzene
CID 58719170
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 18284889
2-(3,4-diethoxyphenyl)ethenamine
CID 70502860
(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 11372975
1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8763804
4-ethoxy-3-prop-1-enylphenol
CID 67507347
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910
(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732918
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene (CID 134533412) is 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OCC)c(Oc2ccc(/C(C)=C/C)cc2)c1.
What is the InChIKey of 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is DKGSJCOVTZVQCH-QOADDIPNSA-N. The full InChI is InChI=1S/C21H24O2/c1-5-8-17-9-14-20(22-7-3)21(15-17)23-19-12-10-18(11-13-19)16(4)6-2/h5-6,8-15H,7H2,1-4H3/b8-5+,16-6+.
What are the key properties of 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene?
2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 308.42 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 134533412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).