(E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one

C14H12O2 — CID 5367143

IUPAC(E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2ccccc2)o1
InChIInChI=1S/C14H12O2/c1-11-7-8-13(16-11)9-10-14(15)12-5-3-2-4-6-12/h2-10H,1H3/b10-9+
InChIKeyDLWUHLKXXCVAMJ-MDZDMXLPSA-N
MW212.25 g/mol
LogP3.48
Rot. Bonds3

About (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one

(E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one (PubChem CID 5367143) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one
PubChem CID5367143
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2ccccc2)o1
InChIInChI=1S/C14H12O2/c1-11-7-8-13(16-11)9-10-14(15)12-5-3-2-4-6-12/h2-10H,1H3/b10-9+
InChIKeyDLWUHLKXXCVAMJ-MDZDMXLPSA-N
XLogP3.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 9223
CID 9223
CID 10680
CID 10680
CID 7476
CID 7476
CID 7169
CID 7169
CID 61527
CID 61527
CID 74346
CID 74346
CID 2734646
CID 2734646
CID 641819
CID 641819
CID 83063
CID 83063
CID 579675
CID 579675
CID 3578033
CID 3578033
CID 6435876
CID 6435876

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one (CID 5367143) is (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one is Cc1ccc(/C=C/C(=O)c2ccccc2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one?
The InChIKey is DLWUHLKXXCVAMJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H12O2/c1-11-7-8-13(16-11)9-10-14(15)12-5-3-2-4-6-12/h2-10H,1H3/b10-9+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one?
(E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one has a molecular weight of 212.25 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5367143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).