2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol

C17H24O4 — CID 62385148

IUPAC2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2ccc(OCC3CCOCC3)cc2O1
InChIInChI=1S/C17H24O4/c1-17(2)10-15(18)14-4-3-13(9-16(14)21-17)20-11-12-5-7-19-8-6-12/h3-4,9,12,15,18H,5-8,10-11H2,1-2H3
InChIKeyRPJURYWMPHSDGD-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.09
Rot. Bonds3

About 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol

2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol (PubChem CID 62385148) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol
PubChem CID62385148
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2ccc(OCC3CCOCC3)cc2O1
InChIInChI=1S/C17H24O4/c1-17(2)10-15(18)14-4-3-13(9-16(14)21-17)20-11-12-5-7-19-8-6-12/h3-4,9,12,15,18H,5-8,10-11H2,1-2H3
InChIKeyRPJURYWMPHSDGD-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol?
The IUPAC name of 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol (CID 62385148) is 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol?
The canonical SMILES for 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol is CC1(C)CC(O)c2ccc(OCC3CCOCC3)cc2O1.
What is the InChIKey of 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol?
The InChIKey is RPJURYWMPHSDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-17(2)10-15(18)14-4-3-13(9-16(14)21-17)20-11-12-5-7-19-8-6-12/h3-4,9,12,15,18H,5-8,10-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol?
2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol has a molecular weight of 292.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(oxan-4-ylmethoxy)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 62385148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).