4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one

C14H12O5 — CID 3828

IUPAC4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
SMILESCOc1c2occc2c(OC)c2c(=O)cc(C)oc12
InChIInChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
InChIKeyHSMPDPBYAYSOBC-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.86
Rot. Bonds2

About 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one

4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one (PubChem CID 3828) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
PubChem CID3828
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
SMILESCOc1c2occc2c(OC)c2c(=O)cc(C)oc12
InChIInChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
InChIKeyHSMPDPBYAYSOBC-UHFFFAOYSA-N
XLogP2.86
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Rotenone
CID 6758
8-Methoxypsoralen
CID 4114
Bergapten
CID 2355
Psoralen
CID 6199
Imperatorin
CID 10212
Isopsoralen
CID 10658
Isoimperatorin
CID 68081
Isopimpinellin
CID 68079
Sphondin
CID 108104
Pimpinellin
CID 4825
Phellopterin
CID 98608
Xanthotoxol
CID 65090

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?
The IUPAC name of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one (CID 3828) is 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one.
What is the SMILES notation for 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?
The canonical SMILES for 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one is COc1c2occc2c(OC)c2c(=O)cc(C)oc12.
What is the InChIKey of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?
The InChIKey is HSMPDPBYAYSOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3.
What are the key properties of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one has a molecular weight of 260.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one is sourced from PubChem (CID 3828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).