6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

C13H18O4 — CID 14334290

IUPAC6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOc1cc2c(cc1OC)C(O)CC(C)(C)O2
InChIInChI=1S/C13H18O4/c1-13(2)7-9(14)8-5-11(15-3)12(16-4)6-10(8)17-13/h5-6,9,14H,7H2,1-4H3
InChIKeyDLBSZDGCDYZTGP-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.30
Rot. Bonds2

About 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 14334290) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID14334290
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOc1cc2c(cc1OC)C(O)CC(C)(C)O2
InChIInChI=1S/C13H18O4/c1-13(2)7-9(14)8-5-11(15-3)12(16-4)6-10(8)17-13/h5-6,9,14H,7H2,1-4H3
InChIKeyDLBSZDGCDYZTGP-UHFFFAOYSA-N
XLogP2.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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CID 73160

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 14334290) is 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is COc1cc2c(cc1OC)C(O)CC(C)(C)O2.
What is the InChIKey of 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is DLBSZDGCDYZTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-13(2)7-9(14)8-5-11(15-3)12(16-4)6-10(8)17-13/h5-6,9,14H,7H2,1-4H3.
What are the key properties of 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 238.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 14334290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).