8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

C18H16O5 — CID 130427398

IUPAC8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCCc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C18H16O5/c1-3-12-13(19)8-14(20)17-15(21)9-16(23-18(12)17)10-4-6-11(22-2)7-5-10/h4-9,19-20H,3H2,1-2H3
InChIKeyPGWUJUOAXNAQNH-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.44
Rot. Bonds3

About 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 130427398) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID130427398
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCCc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C18H16O5/c1-3-12-13(19)8-14(20)17-15(21)9-16(23-18(12)17)10-4-6-11(22-2)7-5-10/h4-9,19-20H,3H2,1-2H3
InChIKeyPGWUJUOAXNAQNH-UHFFFAOYSA-N
XLogP3.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one
CID 175811145
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
5,7-dihydroxy-2-(4-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 21161135
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
CID 5320646
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
CID 139750917
5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
CID 162880668
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
2-(4-bromophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 139750916
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one (CID 130427398) is 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one is CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)cc3)oc12.
What is the InChIKey of 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is PGWUJUOAXNAQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-3-12-13(19)8-14(20)17-15(21)9-16(23-18(12)17)10-4-6-11(22-2)7-5-10/h4-9,19-20H,3H2,1-2H3.
What are the key properties of 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one?
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 130427398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).