2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

C20H20O4 — CID 71601900

IUPAC2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
SMILESCC1(C)CCc2c(ccc3c2OC(c2ccc(O)cc2)CC3=O)O1
InChIInChI=1S/C20H20O4/c1-20(2)10-9-15-17(24-20)8-7-14-16(22)11-18(23-19(14)15)12-3-5-13(21)6-4-12/h3-8,18,21H,9-11H2,1-2H3
InChIKeyYLHPSZWJJFXRLX-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.20
Rot. Bonds1

About 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one (PubChem CID 71601900) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
PubChem CID71601900
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
SMILESCC1(C)CCc2c(ccc3c2OC(c2ccc(O)cc2)CC3=O)O1
InChIInChI=1S/C20H20O4/c1-20(2)10-9-15-17(24-20)8-7-14-16(22)11-18(23-19(14)15)12-3-5-13(21)6-4-12/h3-8,18,21H,9-11H2,1-2H3
InChIKeyYLHPSZWJJFXRLX-UHFFFAOYSA-N
XLogP4.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one with MolForge

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Related Compounds

(2S)-2-(4-hydroxyphenyl)-8-methyl-8-[(2E)-4-methylpenta-2,4-dienyl]-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 155523923
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol
CID 163026721
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 11616795
(2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 42608049
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833
2-[8-(3-ethoxy-3-methylbutyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 74111182
(8S)-8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
CID 163016280
(4S)-4-(3,4-dihydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13)-trien-6-one
CID 42608003
(4R)-4-(3,4-dihydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13)-trien-6-one
CID 163071345
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
CID 10957812
7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 162862030

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one (CID 71601900) is 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one is CC1(C)CCc2c(ccc3c2OC(c2ccc(O)cc2)CC3=O)O1.
What is the InChIKey of 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The InChIKey is YLHPSZWJJFXRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2)10-9-15-17(24-20)8-7-14-16(22)11-18(23-19(14)15)12-3-5-13(21)6-4-12/h3-8,18,21H,9-11H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one has a molecular weight of 324.38 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 71601900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).