2,2,6-trimethylchromen-3-ol

C12H14O2 — CID 70365956

IUPAC2,2,6-trimethylchromen-3-ol
SMILESCc1ccc2c(c1)C=C(O)C(C)(C)O2
InChIInChI=1S/C12H14O2/c1-8-4-5-10-9(6-8)7-11(13)12(2,3)14-10/h4-7,13H,1-3H3
InChIKeyXBZDLPYWLLGGHJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.06
Rot. Bonds

About 2,2,6-trimethylchromen-3-ol

2,2,6-trimethylchromen-3-ol (PubChem CID 70365956) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,2,6-trimethylchromen-3-ol.

Molecular Properties

Compound Name2,2,6-trimethylchromen-3-ol
PubChem CID70365956
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2,2,6-trimethylchromen-3-ol
SMILESCc1ccc2c(c1)C=C(O)C(C)(C)O2
InChIInChI=1S/C12H14O2/c1-8-4-5-10-9(6-8)7-11(13)12(2,3)14-10/h4-7,13H,1-3H3
InChIKeyXBZDLPYWLLGGHJ-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethylchromen-3-ol?
The IUPAC name of 2,2,6-trimethylchromen-3-ol (CID 70365956) is 2,2,6-trimethylchromen-3-ol.
What is the SMILES notation for 2,2,6-trimethylchromen-3-ol?
The canonical SMILES for 2,2,6-trimethylchromen-3-ol is Cc1ccc2c(c1)C=C(O)C(C)(C)O2.
What is the InChIKey of 2,2,6-trimethylchromen-3-ol?
The InChIKey is XBZDLPYWLLGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-4-5-10-9(6-8)7-11(13)12(2,3)14-10/h4-7,13H,1-3H3.
What are the key properties of 2,2,6-trimethylchromen-3-ol?
2,2,6-trimethylchromen-3-ol has a molecular weight of 190.24 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethylchromen-3-ol is sourced from PubChem (CID 70365956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).