2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one

C17H16O3 — CID 114671461

IUPAC2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCCOc1ccccc1C1CC(=O)c2ccccc2O1
InChIInChI=1S/C17H16O3/c1-2-19-15-9-5-4-8-13(15)17-11-14(18)12-7-3-6-10-16(12)20-17/h3-10,17H,2,11H2,1H3
InChIKeyLFXJJITWYTYYTI-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.79
Rot. Bonds3

About 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one

2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 114671461) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID114671461
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCCOc1ccccc1C1CC(=O)c2ccccc2O1
InChIInChI=1S/C17H16O3/c1-2-19-15-9-5-4-8-13(15)17-11-14(18)12-7-3-6-10-16(12)20-17/h3-10,17H,2,11H2,1H3
InChIKeyLFXJJITWYTYYTI-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one (CID 114671461) is 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one is CCOc1ccccc1C1CC(=O)c2ccccc2O1.
What is the InChIKey of 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is LFXJJITWYTYYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-19-15-9-5-4-8-13(15)17-11-14(18)12-7-3-6-10-16(12)20-17/h3-10,17H,2,11H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one?
2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 268.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114671461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).