8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one

C14H18O2 — CID 43154972

IUPAC8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc(C(C)(C)C)c2c1C(=O)CCO2
InChIInChI=1S/C14H18O2/c1-9-5-6-10(14(2,3)4)13-12(9)11(15)7-8-16-13/h5-6H,7-8H2,1-4H3
InChIKeyHIEIXKBOYNECJY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.26
Rot. Bonds

About 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one

8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one (PubChem CID 43154972) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
PubChem CID43154972
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc(C(C)(C)C)c2c1C(=O)CCO2
InChIInChI=1S/C14H18O2/c1-9-5-6-10(14(2,3)4)13-12(9)11(15)7-8-16-13/h5-6H,7-8H2,1-4H3
InChIKeyHIEIXKBOYNECJY-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one (CID 43154972) is 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one is Cc1ccc(C(C)(C)C)c2c1C(=O)CCO2.
What is the InChIKey of 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one?
The InChIKey is HIEIXKBOYNECJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-5-6-10(14(2,3)4)13-12(9)11(15)7-8-16-13/h5-6H,7-8H2,1-4H3.
What are the key properties of 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one?
8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one has a molecular weight of 218.30 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 43154972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).