(3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate

C23H19FO3 — CID 54525340

IUPAC(3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate
SMILESO=C(CC(F)=Cc1ccccc1)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19FO3/c24-20(14-18-8-3-1-4-9-18)16-23(25)26-17-19-10-7-13-22(15-19)27-21-11-5-2-6-12-21/h1-15H,16-17H2
InChIKeyYSSQQNZHRTYOON-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.92
Rot. Bonds7

About (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate

(3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate (PubChem CID 54525340) has the molecular formula C23H19FO3 and a molecular weight of 362.40 g/mol. Its IUPAC name is (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate.

Molecular Properties

Compound Name(3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate
PubChem CID54525340
Molecular FormulaC23H19FO3
Molecular Weight362.40 g/mol
Exact Mass362.13
IUPAC Name(3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate
SMILESO=C(CC(F)=Cc1ccccc1)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19FO3/c24-20(14-18-8-3-1-4-9-18)16-23(25)26-17-19-10-7-13-22(15-19)27-21-11-5-2-6-12-21/h1-15H,16-17H2
InChIKeyYSSQQNZHRTYOON-UHFFFAOYSA-N
XLogP5.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenoxyphenyl)methyl 5,6,6-trifluorohex-5-enoate
CID 19793840
(3-phenoxyphenyl)methyl (E)-3-methyl-4-phenyl-2-propan-2-ylbut-3-enoate
CID 12895331
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
(3-phenoxyphenyl)methyl (E)-2-methylbut-2-enoate
CID 91740752
(3-phenoxyphenyl)methyl 3,3-dimethylpent-4-enoate
CID 13305232
4-O-(2-fluorophenyl) 1-O-[(3-phenoxyphenyl)methyl] butanedioate
CID 91728169
(3-phenoxyphenyl)methyl 3-(1-cyano-2-phenylethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54012056
5-O-(2-methylpropyl) 1-O-[(3-phenoxyphenyl)methyl] pentanedioate
CID 91728129
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
1-O-[(3-phenoxyphenyl)methyl] 4-O-(2,4,6-trichlorophenyl) butanedioate
CID 91728163
(3-phenoxyphenyl)methyl (E)-4-(3-fluorophenyl)-2-propan-2-ylbut-3-enoate
CID 12895330
(3-phenoxyphenyl)methyl 2-(2-methoxyprop-1-enyl)-3-methylcyclopropane-1-carboxylate
CID 70559134

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate?
The IUPAC name of (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate (CID 54525340) is (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate.
What is the SMILES notation for (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate?
The canonical SMILES for (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate is O=C(CC(F)=Cc1ccccc1)OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate?
The InChIKey is YSSQQNZHRTYOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO3/c24-20(14-18-8-3-1-4-9-18)16-23(25)26-17-19-10-7-13-22(15-19)27-21-11-5-2-6-12-21/h1-15H,16-17H2.
What are the key properties of (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate?
(3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate has a molecular weight of 362.40 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)methyl 3-fluoro-4-phenylbut-3-enoate is sourced from PubChem (CID 54525340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).