butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate

C14H18O3 — CID 130331874

IUPACbutan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCCC(C)OC(=O)/C=C/c1ccccc1OC
InChIInChI=1S/C14H18O3/c1-4-11(2)17-14(15)10-9-12-7-5-6-8-13(12)16-3/h5-11H,4H2,1-3H3/b10-9+
InChIKeyDWLBCVYNGVAHQC-MDZDMXLPSA-N
MW234.30 g/mol
LogP3.05
Rot. Bonds5

About butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate

butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 130331874) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namebutan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID130331874
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namebutan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCCC(C)OC(=O)/C=C/c1ccccc1OC
InChIInChI=1S/C14H18O3/c1-4-11(2)17-14(15)10-9-12-7-5-6-8-13(12)16-3/h5-11H,4H2,1-3H3/b10-9+
InChIKeyDWLBCVYNGVAHQC-MDZDMXLPSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
CID 77493840
tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate
CID 140807767
propan-2-yl (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 102534792
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
methyl (2S,3S)-2-[[2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]-3-methylpentanoate
CID 9289081
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8605762
[1-oxo-1-(1-phenylethylamino)propan-2-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 42975583
phenacyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541811
[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4223995
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 71953961
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228

Frequently Asked Questions

What is the IUPAC name of butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 130331874) is butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate is CCC(C)OC(=O)/C=C/c1ccccc1OC.
What is the InChIKey of butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is DWLBCVYNGVAHQC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-11(2)17-14(15)10-9-12-7-5-6-8-13(12)16-3/h5-11H,4H2,1-3H3/b10-9+.
What are the key properties of butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate?
butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 234.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 130331874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).