3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one

C25H22O7 — CID 87782015

IUPAC3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESCOC1Oc2c(c(=O)oc3c(C)ccc(C)c23)C1c1c(O)c2c(C)ccc(C)c2oc1=O
InChIInChI=1S/C25H22O7/c1-10-6-8-12(3)20-14(10)19(26)17(23(27)30-20)16-18-22(32-25(16)29-5)15-11(2)7-9-13(4)21(15)31-24(18)28/h6-9,16,25-26H,1-5H3
InChIKeyMSCXATSKBOZCQI-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.34
Rot. Bonds2

About 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one

3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one (PubChem CID 87782015) has the molecular formula C25H22O7 and a molecular weight of 434.44 g/mol. Its IUPAC name is 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one
PubChem CID87782015
Molecular FormulaC25H22O7
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESCOC1Oc2c(c(=O)oc3c(C)ccc(C)c23)C1c1c(O)c2c(C)ccc(C)c2oc1=O
InChIInChI=1S/C25H22O7/c1-10-6-8-12(3)20-14(10)19(26)17(23(27)30-20)16-18-22(32-25(16)29-5)15-11(2)7-9-13(4)21(15)31-24(18)28/h6-9,16,25-26H,1-5H3
InChIKeyMSCXATSKBOZCQI-UHFFFAOYSA-N
XLogP4.34
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one?
The IUPAC name of 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one (CID 87782015) is 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one?
The canonical SMILES for 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one is COC1Oc2c(c(=O)oc3c(C)ccc(C)c23)C1c1c(O)c2c(C)ccc(C)c2oc1=O.
What is the InChIKey of 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one?
The InChIKey is MSCXATSKBOZCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O7/c1-10-6-8-12(3)20-14(10)19(26)17(23(27)30-20)16-18-22(32-25(16)29-5)15-11(2)7-9-13(4)21(15)31-24(18)28/h6-9,16,25-26H,1-5H3.
What are the key properties of 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one?
3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one has a molecular weight of 434.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-5,8-dimethyl-2-oxochromen-3-yl)-2-methoxy-6,9-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one is sourced from PubChem (CID 87782015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).