(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol

C11H14O3 — CID 162926407

IUPAC(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
SMILESCC1(C)C[C@@H](O)c2cc(O)ccc2O1
InChIInChI=1S/C11H14O3/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,12-13H,6H2,1-2H3/t9-/m1/s1
InChIKeyQAIKLSOPCIZDKK-SECBINFHSA-N
MW194.23 g/mol
LogP1.99
Rot. Bonds

About (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol

(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol (PubChem CID 162926407) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
PubChem CID162926407
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
SMILESCC1(C)C[C@@H](O)c2cc(O)ccc2O1
InChIInChI=1S/C11H14O3/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,12-13H,6H2,1-2H3/t9-/m1/s1
InChIKeyQAIKLSOPCIZDKK-SECBINFHSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
CID 68876636
CID 68876636
2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
CID 155554322
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14334290
6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 166240169
7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
CID 13123193
4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylphenol
CID 81140231
2,2-dimethyl-7-(oxan-4-yloxy)-3,4-dihydrochromen-4-ol
CID 63936445
7-but-2-ynoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 62312344
2,2,4-trimethyl-3,4-dihydrochromene-6,7-diol
CID 45093087
2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol
CID 90827968

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol?
The IUPAC name of (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol (CID 162926407) is (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol.
What is the SMILES notation for (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol?
The canonical SMILES for (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol is CC1(C)C[C@@H](O)c2cc(O)ccc2O1.
What is the InChIKey of (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol?
The InChIKey is QAIKLSOPCIZDKK-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,12-13H,6H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol?
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol has a molecular weight of 194.23 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol is sourced from PubChem (CID 162926407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).