(4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one

C21H24O4 — CID 163040873

IUPAC(4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one
SMILESCOC(C)(C)C=CC=C1COc2oc3cccc(C)c3c(=O)c2[C@@H]1C
InChIInChI=1S/C21H24O4/c1-13-8-6-10-16-17(13)19(22)18-14(2)15(12-24-20(18)25-16)9-7-11-21(3,4)23-5/h6-11,14H,12H2,1-5H3/t14-/m1/s1
InChIKeyVQUHBOKDZNFRFJ-CQSZACIVSA-N
MW340.42 g/mol
LogP4.50
Rot. Bonds3

About (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one

(4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one (PubChem CID 163040873) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one.

Molecular Properties

Compound Name(4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one
PubChem CID163040873
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name(4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one
SMILESCOC(C)(C)C=CC=C1COc2oc3cccc(C)c3c(=O)c2[C@@H]1C
InChIInChI=1S/C21H24O4/c1-13-8-6-10-16-17(13)19(22)18-14(2)15(12-24-20(18)25-16)9-7-11-21(3,4)23-5/h6-11,14H,12H2,1-5H3/t14-/m1/s1
InChIKeyVQUHBOKDZNFRFJ-CQSZACIVSA-N
XLogP4.50
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one?
The IUPAC name of (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one (CID 163040873) is (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one.
What is the SMILES notation for (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one?
The canonical SMILES for (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one is COC(C)(C)C=CC=C1COc2oc3cccc(C)c3c(=O)c2[C@@H]1C.
What is the InChIKey of (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one?
The InChIKey is VQUHBOKDZNFRFJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24O4/c1-13-8-6-10-16-17(13)19(22)18-14(2)15(12-24-20(18)25-16)9-7-11-21(3,4)23-5/h6-11,14H,12H2,1-5H3/t14-/m1/s1.
What are the key properties of (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one?
(4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one has a molecular weight of 340.42 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-methoxy-4-methylpent-2-enylidene)-4,6-dimethyl-4H-pyrano[2,3-b]chromen-5-one is sourced from PubChem (CID 163040873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).