2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one

C18H14O3 — CID 6181860

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
SMILESCOc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H14O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-12H,1H3/b11-8+
InChIKeySNRMIADKIKDZCS-DHZHZOJOSA-N
MW278.31 g/mol
LogP3.97
Rot. Bonds3

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one

2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one (PubChem CID 6181860) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
PubChem CID6181860
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
SMILESCOc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H14O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-12H,1H3/b11-8+
InChIKeySNRMIADKIKDZCS-DHZHZOJOSA-N
XLogP3.97
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one (CID 6181860) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one is COc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The InChIKey is SNRMIADKIKDZCS-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-12H,1H3/b11-8+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one?
2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one has a molecular weight of 278.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one is sourced from PubChem (CID 6181860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).