(E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

C28H34O6 — CID 71653320

IUPAC(E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)c(/C=C/C(=O)c2cc3c(c4c2OC(C)(C)CC4)OC(C)(C)CC3)c(OC)c1
InChIInChI=1S/C28H34O6/c1-27(2)12-10-17-14-21(26-20(25(17)33-27)11-13-28(3,4)34-26)22(29)9-8-19-23(31-6)15-18(30-5)16-24(19)32-7/h8-9,14-16H,10-13H2,1-7H3/b9-8+
InChIKeyFFFOUTMMTMIZIA-CMDGGOBGSA-N
MW466.57 g/mol
LogP5.82
Rot. Bonds6

About (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

(E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 71653320) has the molecular formula C28H34O6 and a molecular weight of 466.57 g/mol. Its IUPAC name is (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
PubChem CID71653320
Molecular FormulaC28H34O6
Molecular Weight466.57 g/mol
Exact Mass466.24
IUPAC Name(E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)c(/C=C/C(=O)c2cc3c(c4c2OC(C)(C)CC4)OC(C)(C)CC3)c(OC)c1
InChIInChI=1S/C28H34O6/c1-27(2)12-10-17-14-21(26-20(25(17)33-27)11-13-28(3,4)34-26)22(29)9-8-19-23(31-6)15-18(30-5)16-24(19)32-7/h8-9,14-16H,10-13H2,1-7H3/b9-8+
InChIKeyFFFOUTMMTMIZIA-CMDGGOBGSA-N
XLogP5.82
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one (CID 71653320) is (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one is COc1cc(OC)c(/C=C/C(=O)c2cc3c(c4c2OC(C)(C)CC4)OC(C)(C)CC3)c(OC)c1.
What is the InChIKey of (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is FFFOUTMMTMIZIA-CMDGGOBGSA-N. The full InChI is InChI=1S/C28H34O6/c1-27(2)12-10-17-14-21(26-20(25(17)33-27)11-13-28(3,4)34-26)22(29)9-8-19-23(31-6)15-18(30-5)16-24(19)32-7/h8-9,14-16H,10-13H2,1-7H3/b9-8+.
What are the key properties of (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
(E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 466.57 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 71653320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).