1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone

C16H16O4 — CID 16641365

IUPAC1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
SMILESCc1ccc(C)c(OCC(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C16H16O4/c1-10-3-4-11(2)16(7-10)20-9-15(19)13-6-5-12(17)8-14(13)18/h3-8,17-18H,9H2,1-2H3
InChIKeyLMFMQRALTRFWRK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.98
Rot. Bonds4

About 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone

1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone (PubChem CID 16641365) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
PubChem CID16641365
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
SMILESCc1ccc(C)c(OCC(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C16H16O4/c1-10-3-4-11(2)16(7-10)20-9-15(19)13-6-5-12(17)8-14(13)18/h3-8,17-18H,9H2,1-2H3
InChIKeyLMFMQRALTRFWRK-UHFFFAOYSA-N
XLogP2.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenoxy)ethanone
CID 43220072
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 4746417
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzonitrile
CID 38900024

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone (CID 16641365) is 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone is Cc1ccc(C)c(OCC(=O)c2ccc(O)cc2O)c1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone?
The InChIKey is LMFMQRALTRFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-10-3-4-11(2)16(7-10)20-9-15(19)13-6-5-12(17)8-14(13)18/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone?
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone has a molecular weight of 272.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone is sourced from PubChem (CID 16641365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).