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

C16H22O4 — CID 63936445

IUPAC2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2ccc(OC3CCOCC3)cc2O1
InChIInChI=1S/C16H22O4/c1-16(2)10-14(17)13-4-3-12(9-15(13)20-16)19-11-5-7-18-8-6-11/h3-4,9,11,14,17H,5-8,10H2,1-2H3
InChIKeyKXHXXYISEFOWQL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.84
Rot. Bonds2

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

2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol (PubChem CID 63936445) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol
PubChem CID63936445
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2ccc(OC3CCOCC3)cc2O1
InChIInChI=1S/C16H22O4/c1-16(2)10-14(17)13-4-3-12(9-15(13)20-16)19-11-5-7-18-8-6-11/h3-4,9,11,14,17H,5-8,10H2,1-2H3
InChIKeyKXHXXYISEFOWQL-UHFFFAOYSA-N
XLogP2.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.84
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-yloxy)-3,4-dihydrochromen-4-ol?
The IUPAC name of 2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol (CID 63936445) is 2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol?
The canonical SMILES for 2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol is CC1(C)CC(O)c2ccc(OC3CCOCC3)cc2O1.
What is the InChIKey of 2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol?
The InChIKey is KXHXXYISEFOWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-16(2)10-14(17)13-4-3-12(9-15(13)20-16)19-11-5-7-18-8-6-11/h3-4,9,11,14,17H,5-8,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol?
2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol has a molecular weight of 278.35 g/mol, XLogP of 2.84, 2 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-yloxy)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 63936445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).