7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol

C13H18O4 — CID 65365060

IUPAC7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOCOc1ccc2c(c1)OC(C)(C)CC2O
InChIInChI=1S/C13H18O4/c1-13(2)7-11(14)10-5-4-9(16-8-15-3)6-12(10)17-13/h4-6,11,14H,7-8H2,1-3H3
InChIKeyYQZDMGIOHLYWTQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.26
Rot. Bonds3

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

7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 65365060) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID65365060
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOCOc1ccc2c(c1)OC(C)(C)CC2O
InChIInChI=1S/C13H18O4/c1-13(2)7-11(14)10-5-4-9(16-8-15-3)6-12(10)17-13/h4-6,11,14H,7-8H2,1-3H3
InChIKeyYQZDMGIOHLYWTQ-UHFFFAOYSA-N
XLogP2.26
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 65365060) is 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol is COCOc1ccc2c(c1)OC(C)(C)CC2O.
What is the InChIKey of 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is YQZDMGIOHLYWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-13(2)7-11(14)10-5-4-9(16-8-15-3)6-12(10)17-13/h4-6,11,14H,7-8H2,1-3H3.
What are the key properties of 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 238.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 65365060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).