2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol

C13H18O2 — CID 45094813

IUPAC2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol
SMILESCCC1(C)CCc2c(ccc(O)c2C)O1
InChIInChI=1S/C13H18O2/c1-4-13(3)8-7-10-9(2)11(14)5-6-12(10)15-13/h5-6,14H,4,7-8H2,1-3H3
InChIKeyHWTWYRWTQQFQEH-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.19
Rot. Bonds1

About 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol

2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol (PubChem CID 45094813) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol
PubChem CID45094813
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol
SMILESCCC1(C)CCc2c(ccc(O)c2C)O1
InChIInChI=1S/C13H18O2/c1-4-13(3)8-7-10-9(2)11(14)5-6-12(10)15-13/h5-6,14H,4,7-8H2,1-3H3
InChIKeyHWTWYRWTQQFQEH-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol (CID 45094813) is 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol is CCC1(C)CCc2c(ccc(O)c2C)O1.
What is the InChIKey of 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is HWTWYRWTQQFQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-13(3)8-7-10-9(2)11(14)5-6-12(10)15-13/h5-6,14H,4,7-8H2,1-3H3.
What are the key properties of 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol?
2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 206.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 45094813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).