1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene

C26H25FO — CID 57253608

IUPAC1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene
SMILESC=CC/C(=C(\Cc1ccc(F)cc1)c1ccc(OCC)cc1)c1ccccc1
InChIInChI=1S/C26H25FO/c1-3-8-25(21-9-6-5-7-10-21)26(19-20-11-15-23(27)16-12-20)22-13-17-24(18-14-22)28-4-2/h3,5-7,9-18H,1,4,8,19H2,2H3/b26-25-
InChIKeyOZVXKIAHVGSZHX-QPLCGJKRSA-N
MW372.48 g/mol
LogP6.95
Rot. Bonds8

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

1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene (PubChem CID 57253608) has the molecular formula C26H25FO and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene
PubChem CID57253608
Molecular FormulaC26H25FO
Molecular Weight372.48 g/mol
Exact Mass372.19
IUPAC Name1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene
SMILESC=CC/C(=C(\Cc1ccc(F)cc1)c1ccc(OCC)cc1)c1ccccc1
InChIInChI=1S/C26H25FO/c1-3-8-25(21-9-6-5-7-10-21)26(19-20-11-15-23(27)16-12-20)22-13-17-24(18-14-22)28-4-2/h3,5-7,9-18H,1,4,8,19H2,2H3/b26-25-
InChIKeyOZVXKIAHVGSZHX-QPLCGJKRSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.48
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene
CID 57173375
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 7704381
N-methyl-2-[4-[1-(4-methylphenyl)-3-phenylpent-2-en-2-yl]phenoxy]ethanamine
CID 91042186
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide
CID 3420448

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene?
The IUPAC name of 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene (CID 57253608) is 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene?
The canonical SMILES for 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene is C=CC/C(=C(\Cc1ccc(F)cc1)c1ccc(OCC)cc1)c1ccccc1.
What is the InChIKey of 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene?
The InChIKey is OZVXKIAHVGSZHX-QPLCGJKRSA-N. The full InChI is InChI=1S/C26H25FO/c1-3-8-25(21-9-6-5-7-10-21)26(19-20-11-15-23(27)16-12-20)22-13-17-24(18-14-22)28-4-2/h3,5-7,9-18H,1,4,8,19H2,2H3/b26-25-.
What are the key properties of 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene?
1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene has a molecular weight of 372.48 g/mol, XLogP of 6.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(2Z)-1-(4-fluorophenyl)-3-phenylhexa-2,5-dien-2-yl]benzene is sourced from PubChem (CID 57253608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).