2,2-dimethyl-3,4-dihydrochromene-3,6-diol

C11H14O3 — CID 10535808

IUPAC2,2-dimethyl-3,4-dihydrochromene-3,6-diol
SMILESCC1(C)Oc2ccc(O)cc2CC1O
InChIInChI=1S/C11H14O3/c1-11(2)10(13)6-7-5-8(12)3-4-9(7)14-11/h3-5,10,12-13H,6H2,1-2H3
InChIKeyKGTUQYJWMOYGOR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.47
Rot. Bonds

About 2,2-dimethyl-3,4-dihydrochromene-3,6-diol

2,2-dimethyl-3,4-dihydrochromene-3,6-diol (PubChem CID 10535808) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydrochromene-3,6-diol.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydrochromene-3,6-diol
PubChem CID10535808
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2,2-dimethyl-3,4-dihydrochromene-3,6-diol
SMILESCC1(C)Oc2ccc(O)cc2CC1O
InChIInChI=1S/C11H14O3/c1-11(2)10(13)6-7-5-8(12)3-4-9(7)14-11/h3-5,10,12-13H,6H2,1-2H3
InChIKeyKGTUQYJWMOYGOR-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-3,6-diol?
The IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-3,6-diol (CID 10535808) is 2,2-dimethyl-3,4-dihydrochromene-3,6-diol.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydrochromene-3,6-diol?
The canonical SMILES for 2,2-dimethyl-3,4-dihydrochromene-3,6-diol is CC1(C)Oc2ccc(O)cc2CC1O.
What is the InChIKey of 2,2-dimethyl-3,4-dihydrochromene-3,6-diol?
The InChIKey is KGTUQYJWMOYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2)10(13)6-7-5-8(12)3-4-9(7)14-11/h3-5,10,12-13H,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydrochromene-3,6-diol?
2,2-dimethyl-3,4-dihydrochromene-3,6-diol has a molecular weight of 194.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydrochromene-3,6-diol is sourced from PubChem (CID 10535808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).