2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol

C23H28O3 — CID 91820692

IUPAC2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol
SMILESCCCc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1
InChIInChI=1S/C23H28O3/c1-4-5-15-6-8-18(20(24)12-15)17-13-16-7-9-21-19(22(16)25-14-17)10-11-23(2,3)26-21/h6-9,12,17,24H,4-5,10-11,13-14H2,1-3H3
InChIKeyGFPXYXJEWKDANV-UHFFFAOYSA-N
MW352.47 g/mol
LogP5.17
Rot. Bonds3

About 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol

2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol (PubChem CID 91820692) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol.

Molecular Properties

Compound Name2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol
PubChem CID91820692
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol
SMILESCCCc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1
InChIInChI=1S/C23H28O3/c1-4-5-15-6-8-18(20(24)12-15)17-13-16-7-9-21-19(22(16)25-14-17)10-11-23(2,3)26-21/h6-9,12,17,24H,4-5,10-11,13-14H2,1-3H3
InChIKeyGFPXYXJEWKDANV-UHFFFAOYSA-N
XLogP5.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol?
The IUPAC name of 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol (CID 91820692) is 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol.
What is the SMILES notation for 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol?
The canonical SMILES for 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol is CCCc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1.
What is the InChIKey of 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol?
The InChIKey is GFPXYXJEWKDANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3/c1-4-5-15-6-8-18(20(24)12-15)17-13-16-7-9-21-19(22(16)25-14-17)10-11-23(2,3)26-21/h6-9,12,17,24H,4-5,10-11,13-14H2,1-3H3.
What are the key properties of 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol?
2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol has a molecular weight of 352.47 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol is sourced from PubChem (CID 91820692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).