1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene

C20H22O — CID 57173375

IUPAC1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene
SMILESC=CC/C(=C/Cc1ccc(OCC)cc1)c1ccccc1
InChIInChI=1S/C20H22O/c1-3-8-18(19-9-6-5-7-10-19)14-11-17-12-15-20(16-13-17)21-4-2/h3,5-7,9-10,12-16H,1,4,8,11H2,2H3/b18-14-
InChIKeyXKIGJWZBEZJUJZ-JXAWBTAJSA-N
MW278.40 g/mol
LogP5.29
Rot. Bonds7

About 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene

1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene (PubChem CID 57173375) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene
PubChem CID57173375
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene
SMILESC=CC/C(=C/Cc1ccc(OCC)cc1)c1ccccc1
InChIInChI=1S/C20H22O/c1-3-8-18(19-9-6-5-7-10-19)14-11-17-12-15-20(16-13-17)21-4-2/h3,5-7,9-10,12-16H,1,4,8,11H2,2H3/b18-14-
InChIKeyXKIGJWZBEZJUJZ-JXAWBTAJSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene
CID 57253608
3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
CID 130400295
1-ethoxy-4-(1-phenylprop-2-enyl)benzene
CID 57277088
1-(5-bromopentoxy)-4-[(E)-3,4-diphenylbut-2-enyl]benzene
CID 67642835
(4-ethoxyphenyl)methyl benzoate
CID 91595481
1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene
CID 174366645
benzamide;1,4-diethoxybenzene
CID 162120306
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
ethoxybenzene chloride
CID 21193593
1-ethoxy-4-phenylbenzene;phenol
CID 174652155

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene?
The IUPAC name of 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene (CID 57173375) is 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene?
The canonical SMILES for 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene is C=CC/C(=C/Cc1ccc(OCC)cc1)c1ccccc1.
What is the InChIKey of 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene?
The InChIKey is XKIGJWZBEZJUJZ-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H22O/c1-3-8-18(19-9-6-5-7-10-19)14-11-17-12-15-20(16-13-17)21-4-2/h3,5-7,9-10,12-16H,1,4,8,11H2,2H3/b18-14-.
What are the key properties of 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene?
1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene has a molecular weight of 278.40 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene is sourced from PubChem (CID 57173375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).