7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one

C18H16O4 — CID 22641127

IUPAC7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one
SMILESCc1cc(OCCO)cc2occ(-c3ccccc3)c(=O)c12
InChIInChI=1S/C18H16O4/c1-12-9-14(21-8-7-19)10-16-17(12)18(20)15(11-22-16)13-5-3-2-4-6-13/h2-6,9-11,19H,7-8H2,1H3
InChIKeyZCRDFFVIJLTTPI-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.14
Rot. Bonds4

About 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one

7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one (PubChem CID 22641127) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one
PubChem CID22641127
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one
SMILESCc1cc(OCCO)cc2occ(-c3ccccc3)c(=O)c12
InChIInChI=1S/C18H16O4/c1-12-9-14(21-8-7-19)10-16-17(12)18(20)15(11-22-16)13-5-3-2-4-6-13/h2-6,9-11,19H,7-8H2,1H3
InChIKeyZCRDFFVIJLTTPI-UHFFFAOYSA-N
XLogP3.14
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one?
The IUPAC name of 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one (CID 22641127) is 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one.
What is the SMILES notation for 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one?
The canonical SMILES for 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one is Cc1cc(OCCO)cc2occ(-c3ccccc3)c(=O)c12.
What is the InChIKey of 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one?
The InChIKey is ZCRDFFVIJLTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-12-9-14(21-8-7-19)10-16-17(12)18(20)15(11-22-16)13-5-3-2-4-6-13/h2-6,9-11,19H,7-8H2,1H3.
What are the key properties of 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one?
7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one is sourced from PubChem (CID 22641127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).