3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

C18H18O7 — CID 169180209

IUPAC3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCCOC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(OC)c(O)c1
InChIInChI=1S/C18H18O7/c1-3-24-18-16(22)15-12(21)7-10(19)8-14(15)25-17(18)9-4-5-13(23-2)11(20)6-9/h4-8,17-21H,3H2,1-2H3
InChIKeyAFFHGHHJVIRRTD-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.53
Rot. Bonds4

About 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 169180209) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID169180209
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Name3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCCOC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(OC)c(O)c1
InChIInChI=1S/C18H18O7/c1-3-24-18-16(22)15-12(21)7-10(19)8-14(15)25-17(18)9-4-5-13(23-2)11(20)6-9/h4-8,17-21H,3H2,1-2H3
InChIKeyAFFHGHHJVIRRTD-UHFFFAOYSA-N
XLogP2.53
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 169180209) is 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one is CCOC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(OC)c(O)c1.
What is the InChIKey of 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is AFFHGHHJVIRRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7/c1-3-24-18-16(22)15-12(21)7-10(19)8-14(15)25-17(18)9-4-5-13(23-2)11(20)6-9/h4-8,17-21H,3H2,1-2H3.
What are the key properties of 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 346.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169180209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).