4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol

C13H18O2 — CID 10679800

IUPAC4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol
SMILESCc1cc2c(c(C)c1O)C(C)(C)CCO2
InChIInChI=1S/C13H18O2/c1-8-7-10-11(9(2)12(8)14)13(3,4)5-6-15-10/h7,14H,5-6H2,1-4H3
InChIKeyYWMQMEFSEWJLME-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.07
Rot. Bonds

About 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol

4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol (PubChem CID 10679800) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol.

Molecular Properties

Compound Name4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol
PubChem CID10679800
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol
SMILESCc1cc2c(c(C)c1O)C(C)(C)CCO2
InChIInChI=1S/C13H18O2/c1-8-7-10-11(9(2)12(8)14)13(3,4)5-6-15-10/h7,14H,5-6H2,1-4H3
InChIKeyYWMQMEFSEWJLME-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol?
The IUPAC name of 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol (CID 10679800) is 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol.
What is the SMILES notation for 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol?
The canonical SMILES for 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol is Cc1cc2c(c(C)c1O)C(C)(C)CCO2.
What is the InChIKey of 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol?
The InChIKey is YWMQMEFSEWJLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-7-10-11(9(2)12(8)14)13(3,4)5-6-15-10/h7,14H,5-6H2,1-4H3.
What are the key properties of 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol?
4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol has a molecular weight of 206.28 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol is sourced from PubChem (CID 10679800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).