7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol

C14H20O2 — CID 154982719

IUPAC7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
SMILESCCc1cc2c(cc1O)C(C)CC(C)(C)O2
InChIInChI=1S/C14H20O2/c1-5-10-6-13-11(7-12(10)15)9(2)8-14(3,4)16-13/h6-7,9,15H,5,8H2,1-4H3
InChIKeyDADOMPDTSORWSR-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.62
Rot. Bonds1

About 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol

7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol (PubChem CID 154982719) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
PubChem CID154982719
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
SMILESCCc1cc2c(cc1O)C(C)CC(C)(C)O2
InChIInChI=1S/C14H20O2/c1-5-10-6-13-11(7-12(10)15)9(2)8-14(3,4)16-13/h6-7,9,15H,5,8H2,1-4H3
InChIKeyDADOMPDTSORWSR-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol (CID 154982719) is 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol is CCc1cc2c(cc1O)C(C)CC(C)(C)O2.
What is the InChIKey of 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is DADOMPDTSORWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-10-6-13-11(7-12(10)15)9(2)8-14(3,4)16-13/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol?
7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 220.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 154982719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).