7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol

C12H16O4 — CID 13123193

IUPAC7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
SMILESCOc1cc(O)c2c(c1)OC(C)(C)CC2O
InChIInChI=1S/C12H16O4/c1-12(2)6-9(14)11-8(13)4-7(15-3)5-10(11)16-12/h4-5,9,13-14H,6H2,1-3H3
InChIKeyJZHVDRLELWBFDY-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.00
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol

7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol (PubChem CID 13123193) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
PubChem CID13123193
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
SMILESCOc1cc(O)c2c(c1)OC(C)(C)CC2O
InChIInChI=1S/C12H16O4/c1-12(2)6-9(14)11-8(13)4-7(15-3)5-10(11)16-12/h4-5,9,13-14H,6H2,1-3H3
InChIKeyJZHVDRLELWBFDY-UHFFFAOYSA-N
XLogP2.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol?
The IUPAC name of 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol (CID 13123193) is 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol?
The canonical SMILES for 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol is COc1cc(O)c2c(c1)OC(C)(C)CC2O.
What is the InChIKey of 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol?
The InChIKey is JZHVDRLELWBFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(2)6-9(14)11-8(13)4-7(15-3)5-10(11)16-12/h4-5,9,13-14H,6H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol?
7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol has a molecular weight of 224.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol is sourced from PubChem (CID 13123193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).