7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one

C13H16O4 — CID 14184039

IUPAC7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
SMILESCCOc1ccc2c(c1O)OC(C)(C)CC2=O
InChIInChI=1S/C13H16O4/c1-4-16-10-6-5-8-9(14)7-13(2,3)17-12(8)11(10)15/h5-6,15H,4,7H2,1-3H3
InChIKeyMUSKMECQCUGUSP-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.53
Rot. Bonds2

About 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one

7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one (PubChem CID 14184039) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
PubChem CID14184039
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
SMILESCCOc1ccc2c(c1O)OC(C)(C)CC2=O
InChIInChI=1S/C13H16O4/c1-4-16-10-6-5-8-9(14)7-13(2,3)17-12(8)11(10)15/h5-6,15H,4,7H2,1-3H3
InChIKeyMUSKMECQCUGUSP-UHFFFAOYSA-N
XLogP2.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
CID 22158840
2,2,8-trimethyl-7-prop-2-ynoxy-3H-chromen-4-one
CID 14161336
8-ethyl-2,2-dimethyl-3H-chromen-4-one
CID 64698496
6-bromo-7-ethoxy-2,2-dimethyl-3H-chromen-4-one
CID 22490922
8-fluoro-2,2,7-trimethyl-3H-chromen-4-one
CID 103920514
methyl 2,2-dimethyl-4-oxo-3H-chromene-8-carboxylate
CID 137332825
ethyl 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetate
CID 2728596
2-methoxy-3-[5-[(2,2,8-trimethyl-4-oxo-3H-chromen-7-yl)oxymethyl]pyrazin-2-yl]benzoic acid
CID 168958562
5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran
CID 22343817
1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762684
2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 75357275
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one (CID 14184039) is 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one is CCOc1ccc2c(c1O)OC(C)(C)CC2=O.
What is the InChIKey of 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is MUSKMECQCUGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-16-10-6-5-8-9(14)7-13(2,3)17-12(8)11(10)15/h5-6,15H,4,7H2,1-3H3.
What are the key properties of 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one?
7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 236.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 14184039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).