1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene

C24H23FO2 — CID 174366645

IUPAC1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene
SMILESCCOc1ccc(CC=C(F)Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H23FO2/c1-2-26-22-15-12-19(13-16-22)11-14-21(25)17-20-7-6-10-24(18-20)27-23-8-4-3-5-9-23/h3-10,12-16,18H,2,11,17H2,1H3
InChIKeyOBYJMAHEEZBLHG-UHFFFAOYSA-N
MW362.44 g/mol
LogP6.52
Rot. Bonds8

About 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene

1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene (PubChem CID 174366645) has the molecular formula C24H23FO2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene
PubChem CID174366645
Molecular FormulaC24H23FO2
Molecular Weight362.44 g/mol
Exact Mass362.17
IUPAC Name1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene
SMILESCCOc1ccc(CC=C(F)Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H23FO2/c1-2-26-22-15-12-19(13-16-22)11-14-21(25)17-20-7-6-10-24(18-20)27-23-8-4-3-5-9-23/h3-10,12-16,18H,2,11,17H2,1H3
InChIKeyOBYJMAHEEZBLHG-UHFFFAOYSA-N
XLogP6.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol
CID 68720967
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982957
1-pent-2-enyl-3-phenoxybenzene
CID 70370206
1-ethoxy-4-[(2Z)-3-phenylhexa-2,5-dienyl]benzene
CID 57173375
ethyl (E)-3-hydroxy-2-[(3-phenoxyphenyl)methyl]prop-2-enoate
CID 10732814
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
CID 67686849
N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine
CID 142649594
1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene
CID 57058545
butyl 2-(3-phenoxyphenyl)acetate
CID 22123808

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene?
The IUPAC name of 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene (CID 174366645) is 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene?
The canonical SMILES for 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene is CCOc1ccc(CC=C(F)Cc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene?
The InChIKey is OBYJMAHEEZBLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO2/c1-2-26-22-15-12-19(13-16-22)11-14-21(25)17-20-7-6-10-24(18-20)27-23-8-4-3-5-9-23/h3-10,12-16,18H,2,11,17H2,1H3.
What are the key properties of 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene?
1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene has a molecular weight of 362.44 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene is sourced from PubChem (CID 174366645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).