4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione

C19H18O5 — CID 143801823

IUPAC4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
SMILESC/C=C\C=C(/C)c1cc(=O)oc2c3c(cc(O)c12)OC(C)CC3=O
InChIInChI=1S/C19H18O5/c1-4-5-6-10(2)12-8-16(22)24-19-17(12)14(21)9-15-18(19)13(20)7-11(3)23-15/h4-6,8-9,11,21H,7H2,1-3H3/b5-4-,10-6+
InChIKeyICCMHKQCHIBBGH-VWJYOPCBSA-N
MW326.35 g/mol
LogP3.83
Rot. Bonds2

About 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione

4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione (PubChem CID 143801823) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
PubChem CID143801823
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
SMILESC/C=C\C=C(/C)c1cc(=O)oc2c3c(cc(O)c12)OC(C)CC3=O
InChIInChI=1S/C19H18O5/c1-4-5-6-10(2)12-8-16(22)24-19-17(12)14(21)9-15-18(19)13(20)7-11(3)23-15/h4-6,8-9,11,21H,7H2,1-3H3/b5-4-,10-6+
InChIKeyICCMHKQCHIBBGH-VWJYOPCBSA-N
XLogP3.83
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione (CID 143801823) is 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione is C/C=C\C=C(/C)c1cc(=O)oc2c3c(cc(O)c12)OC(C)CC3=O.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The InChIKey is ICCMHKQCHIBBGH-VWJYOPCBSA-N. The full InChI is InChI=1S/C19H18O5/c1-4-5-6-10(2)12-8-16(22)24-19-17(12)14(21)9-15-18(19)13(20)7-11(3)23-15/h4-6,8-9,11,21H,7H2,1-3H3/b5-4-,10-6+.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione has a molecular weight of 326.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-hydroxy-8-methyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione is sourced from PubChem (CID 143801823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).