[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C16H13FO5 — CID 7852134

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)/C=C/c1ccco1
InChIInChI=1S/C16H13FO5/c1-20-15-6-4-11(17)9-13(15)14(18)10-22-16(19)7-5-12-3-2-8-21-12/h2-9H,10H2,1H3/b7-5+
InChIKeyVRVNSEYOBPPGMC-FNORWQNLSA-N
MW304.27 g/mol
LogP2.87
Rot. Bonds6

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 7852134) has the molecular formula C16H13FO5 and a molecular weight of 304.27 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID7852134
Molecular FormulaC16H13FO5
Molecular Weight304.27 g/mol
Exact Mass304.07
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)/C=C/c1ccco1
InChIInChI=1S/C16H13FO5/c1-20-15-6-4-11(17)9-13(15)14(18)10-22-16(19)7-5-12-3-2-8-21-12/h2-9H,10H2,1H3/b7-5+
InChIKeyVRVNSEYOBPPGMC-FNORWQNLSA-N
XLogP2.87
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3977727
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3486784
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate
CID 8673995
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 7627667
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7505901
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2398661

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 7852134) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is COc1ccc(F)cc1C(=O)COC(=O)/C=C/c1ccco1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is VRVNSEYOBPPGMC-FNORWQNLSA-N. The full InChI is InChI=1S/C16H13FO5/c1-20-15-6-4-11(17)9-13(15)14(18)10-22-16(19)7-5-12-3-2-8-21-12/h2-9H,10H2,1H3/b7-5+.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 304.27 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 7852134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).