3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol

C22H22O5 — CID 143310074

IUPAC3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)=C(C(CO)C1=C(O)c3cc(C)ccc3OC1)CO2
InChIInChI=1S/C22H22O5/c1-12-3-5-19-14(7-12)21(24)17(10-26-19)16(9-23)18-11-27-20-6-4-13(2)8-15(20)22(18)25/h3-8,16,23-25H,9-11H2,1-2H3
InChIKeyFWIHQZMYTHIVOV-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.94
Rot. Bonds3

About 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol

3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol (PubChem CID 143310074) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol
PubChem CID143310074
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)=C(C(CO)C1=C(O)c3cc(C)ccc3OC1)CO2
InChIInChI=1S/C22H22O5/c1-12-3-5-19-14(7-12)21(24)17(10-26-19)16(9-23)18-11-27-20-6-4-13(2)8-15(20)22(18)25/h3-8,16,23-25H,9-11H2,1-2H3
InChIKeyFWIHQZMYTHIVOV-UHFFFAOYSA-N
XLogP3.94
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol?
The IUPAC name of 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol (CID 143310074) is 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol.
What is the SMILES notation for 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol?
The canonical SMILES for 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol is Cc1ccc2c(c1)C(O)=C(C(CO)C1=C(O)c3cc(C)ccc3OC1)CO2.
What is the InChIKey of 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol?
The InChIKey is FWIHQZMYTHIVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-12-3-5-19-14(7-12)21(24)17(10-26-19)16(9-23)18-11-27-20-6-4-13(2)8-15(20)22(18)25/h3-8,16,23-25H,9-11H2,1-2H3.
What are the key properties of 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol?
3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol has a molecular weight of 366.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol is sourced from PubChem (CID 143310074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).