1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone

C14H16O3 — CID 13462851

IUPAC1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone
SMILESCC(=O)c1c(O)cc2c(c1C)C=CC(C)(C)O2
InChIInChI=1S/C14H16O3/c1-8-10-5-6-14(3,4)17-12(10)7-11(16)13(8)9(2)15/h5-7,16H,1-4H3
InChIKeyLYYRTLNEPIBLAE-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.09
Rot. Bonds1

About 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone

1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone (PubChem CID 13462851) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone
PubChem CID13462851
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone
SMILESCC(=O)c1c(O)cc2c(c1C)C=CC(C)(C)O2
InChIInChI=1S/C14H16O3/c1-8-10-5-6-14(3,4)17-12(10)7-11(16)13(8)9(2)15/h5-7,16H,1-4H3
InChIKeyLYYRTLNEPIBLAE-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone?
The IUPAC name of 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone (CID 13462851) is 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone.
What is the SMILES notation for 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone?
The canonical SMILES for 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone is CC(=O)c1c(O)cc2c(c1C)C=CC(C)(C)O2.
What is the InChIKey of 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone?
The InChIKey is LYYRTLNEPIBLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-8-10-5-6-14(3,4)17-12(10)7-11(16)13(8)9(2)15/h5-7,16H,1-4H3.
What are the key properties of 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone?
1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone has a molecular weight of 232.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone is sourced from PubChem (CID 13462851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).