1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene

C22H28O3 — CID 146247123

IUPAC1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene
SMILESC/C=C/c1cc(-c2ccc(OCCOCCC)cc2)ccc1OCC
InChIInChI=1S/C22H28O3/c1-4-7-20-17-19(10-13-22(20)24-6-3)18-8-11-21(12-9-18)25-16-15-23-14-5-2/h4,7-13,17H,5-6,14-16H2,1-3H3/b7-4+
InChIKeyKUPJTDDMXIOOAO-QPJJXVBHSA-N
MW340.46 g/mol
LogP5.59
Rot. Bonds10

About 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene

1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene (PubChem CID 146247123) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene
PubChem CID146247123
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene
SMILESC/C=C/c1cc(-c2ccc(OCCOCCC)cc2)ccc1OCC
InChIInChI=1S/C22H28O3/c1-4-7-20-17-19(10-13-22(20)24-6-3)18-8-11-21(12-9-18)25-16-15-23-14-5-2/h4,7-13,17H,5-6,14-16H2,1-3H3/b7-4+
InChIKeyKUPJTDDMXIOOAO-QPJJXVBHSA-N
XLogP5.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-ethoxy-5-[4-(2-propoxyethoxy)phenyl]phenyl]-N-[4-[(E)-2-(propyliminomethylamino)ethenyl]phenyl]prop-2-enamide
CID 166924619
(E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-propan-2-yloxyphenyl]prop-2-enal
CID 146247260
(E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-(difluoromethoxy)phenyl]prop-2-enal
CID 146247056
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
4-ethoxy-3-prop-1-enylphenol
CID 67507347
ethyl (E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-(trifluoromethoxy)phenyl]prop-2-enoate
CID 142370018
1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
CID 69031311
1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene
CID 166924587
[2-methanimidoyl-4-(4-propylphenyl)phenyl] 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
CID 145109612
(E)-3-[5-[4-(2-butoxyethoxy)phenyl]-2-ethoxyphenyl]-N-[4-[(R)-(3-ethyl-5-methylimidazol-4-yl)methylsulfinyl]phenyl]prop-2-enamide
CID 146247229
(E)-4-[5-[4-(2-butoxyethoxy)phenyl]-2-ethoxyphenyl]-1-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 158231220
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene?
The IUPAC name of 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene (CID 146247123) is 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene?
The canonical SMILES for 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene is C/C=C/c1cc(-c2ccc(OCCOCCC)cc2)ccc1OCC.
What is the InChIKey of 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene?
The InChIKey is KUPJTDDMXIOOAO-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H28O3/c1-4-7-20-17-19(10-13-22(20)24-6-3)18-8-11-21(12-9-18)25-16-15-23-14-5-2/h4,7-13,17H,5-6,14-16H2,1-3H3/b7-4+.
What are the key properties of 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene?
1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene has a molecular weight of 340.46 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[(E)-prop-1-enyl]-4-[4-(2-propoxyethoxy)phenyl]benzene is sourced from PubChem (CID 146247123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).