(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate

C19H19FO4 — CID 7485551

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate
SMILESCOc1cc(C)c(COC(=O)/C=C/c2ccccc2F)cc1OC
InChIInChI=1S/C19H19FO4/c1-13-10-17(22-2)18(23-3)11-15(13)12-24-19(21)9-8-14-6-4-5-7-16(14)20/h4-11H,12H2,1-3H3/b9-8+
InChIKeyUCEKTJYHSIMBBW-CMDGGOBGSA-N
MW330.36 g/mol
LogP3.91
Rot. Bonds6

About (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate

(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate (PubChem CID 7485551) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate
PubChem CID7485551
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate
SMILESCOc1cc(C)c(COC(=O)/C=C/c2ccccc2F)cc1OC
InChIInChI=1S/C19H19FO4/c1-13-10-17(22-2)18(23-3)11-15(13)12-24-19(21)9-8-14-6-4-5-7-16(14)20/h4-11H,12H2,1-3H3/b9-8+
InChIKeyUCEKTJYHSIMBBW-CMDGGOBGSA-N
XLogP3.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 7766313
benzyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 140721856
(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7907461
(2-fluorophenyl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8664716
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485311
(2-fluorophenyl)methyl (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 7757663
ethyl (E)-3-(2-fluoro-3-methoxyphenyl)prop-2-enoate
CID 119086600
(5-fluoro-2-methoxyphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949466
3-(3,4-dimethoxyphenyl)-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxypropanoic acid
CID 71652193
(3,4-dimethoxyphenyl)methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate
CID 9097003
ethyl (E)-3-(2,5-difluoro-4-methoxyphenyl)prop-2-enoate
CID 59760132
(E)-3-(2-fluorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 127043928

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate (CID 7485551) is (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate is COc1cc(C)c(COC(=O)/C=C/c2ccccc2F)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate?
The InChIKey is UCEKTJYHSIMBBW-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H19FO4/c1-13-10-17(22-2)18(23-3)11-15(13)12-24-19(21)9-8-14-6-4-5-7-16(14)20/h4-11H,12H2,1-3H3/b9-8+.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate?
(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate has a molecular weight of 330.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 7485551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).