3-phenacyloxy-2-phenylchromen-4-one

C23H16O4 — CID 7730834

IUPAC3-phenacyloxy-2-phenylchromen-4-one
SMILESO=C(COc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C23H16O4/c24-19(16-9-3-1-4-10-16)15-26-23-21(25)18-13-7-8-14-20(18)27-22(23)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyYJRAJNFQFWEMKK-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.72
Rot. Bonds5

About 3-phenacyloxy-2-phenylchromen-4-one

3-phenacyloxy-2-phenylchromen-4-one (PubChem CID 7730834) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-phenacyloxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-phenacyloxy-2-phenylchromen-4-one
PubChem CID7730834
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name3-phenacyloxy-2-phenylchromen-4-one
SMILESO=C(COc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C23H16O4/c24-19(16-9-3-1-4-10-16)15-26-23-21(25)18-13-7-8-14-20(18)27-22(23)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyYJRAJNFQFWEMKK-UHFFFAOYSA-N
XLogP4.72
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034
2-(4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 735033
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
CID 87249691
(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
CID 2752530
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
(4-oxo-2-phenylchromen-3-yl) 2-bromobenzoate
CID 1178206
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
(4-oxo-2-phenylchromen-3-yl) thiophene-2-carboxylate
CID 734941
(4-oxo-2-phenylchromen-3-yl) cyclohexanecarboxylate
CID 20998224
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624

Frequently Asked Questions

What is the IUPAC name of 3-phenacyloxy-2-phenylchromen-4-one?
The IUPAC name of 3-phenacyloxy-2-phenylchromen-4-one (CID 7730834) is 3-phenacyloxy-2-phenylchromen-4-one.
What is the SMILES notation for 3-phenacyloxy-2-phenylchromen-4-one?
The canonical SMILES for 3-phenacyloxy-2-phenylchromen-4-one is O=C(COc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 3-phenacyloxy-2-phenylchromen-4-one?
The InChIKey is YJRAJNFQFWEMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O4/c24-19(16-9-3-1-4-10-16)15-26-23-21(25)18-13-7-8-14-20(18)27-22(23)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 3-phenacyloxy-2-phenylchromen-4-one?
3-phenacyloxy-2-phenylchromen-4-one has a molecular weight of 356.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyloxy-2-phenylchromen-4-one is sourced from PubChem (CID 7730834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).