3-acetyl-7-(4-methoxyphenoxy)chromen-4-one

C18H14O5 — CID 139885668

IUPAC3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
SMILESCOc1ccc(Oc2ccc3c(=O)c(C(C)=O)coc3c2)cc1
InChIInChI=1S/C18H14O5/c1-11(19)16-10-22-17-9-14(7-8-15(17)18(16)20)23-13-5-3-12(21-2)4-6-13/h3-10H,1-2H3
InChIKeyLJOLHVLDZRGPMT-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.80
Rot. Bonds4

About 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one

3-acetyl-7-(4-methoxyphenoxy)chromen-4-one (PubChem CID 139885668) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one.

Molecular Properties

Compound Name3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
PubChem CID139885668
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
SMILESCOc1ccc(Oc2ccc3c(=O)c(C(C)=O)coc3c2)cc1
InChIInChI=1S/C18H14O5/c1-11(19)16-10-22-17-9-14(7-8-15(17)18(16)20)23-13-5-3-12(21-2)4-6-13/h3-10H,1-2H3
InChIKeyLJOLHVLDZRGPMT-UHFFFAOYSA-N
XLogP3.80
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400
propan-2-yl (2S)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1182863
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
3-(cyclopropanecarbonyl)-7-phenoxychromen-4-one
CID 139885698
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one
CID 139885740
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 4-nitrobenzoate
CID 1181427
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 2-(4-chlorophenoxy)propanoate
CID 5078635
(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enoate
CID 6953675
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 2792994
7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride
CID 139885751

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one?
The IUPAC name of 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one (CID 139885668) is 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one.
What is the SMILES notation for 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one?
The canonical SMILES for 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one is COc1ccc(Oc2ccc3c(=O)c(C(C)=O)coc3c2)cc1.
What is the InChIKey of 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one?
The InChIKey is LJOLHVLDZRGPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-11(19)16-10-22-17-9-14(7-8-15(17)18(16)20)23-13-5-3-12(21-2)4-6-13/h3-10H,1-2H3.
What are the key properties of 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one?
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one has a molecular weight of 310.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7-(4-methoxyphenoxy)chromen-4-one is sourced from PubChem (CID 139885668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).