1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone

C19H22O3 — CID 71616954

IUPAC1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone
SMILESCCC(C)(C)c1ccc(OCC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H22O3/c1-4-19(2,3)14-9-11-15(12-10-14)22-13-18(21)16-7-5-6-8-17(16)20/h5-12,20H,4,13H2,1-3H3
InChIKeySVMJSMIAEXXSLF-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.34
Rot. Bonds6

About 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone

1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone (PubChem CID 71616954) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone
PubChem CID71616954
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone
SMILESCCC(C)(C)c1ccc(OCC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H22O3/c1-4-19(2,3)14-9-11-15(12-10-14)22-13-18(21)16-7-5-6-8-17(16)20/h5-12,20H,4,13H2,1-3H3
InChIKeySVMJSMIAEXXSLF-UHFFFAOYSA-N
XLogP4.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(2-hydroxyphenyl)ethanone
CID 71616835
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
N-ethyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093296
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide
CID 17093334
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
CID 9157092
2-(4-tert-butylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 921053

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone?
The IUPAC name of 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone (CID 71616954) is 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone is CCC(C)(C)c1ccc(OCC(=O)c2ccccc2O)cc1.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone?
The InChIKey is SVMJSMIAEXXSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-19(2,3)14-9-11-15(12-10-14)22-13-18(21)16-7-5-6-8-17(16)20/h5-12,20H,4,13H2,1-3H3.
What are the key properties of 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone?
1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone has a molecular weight of 298.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone is sourced from PubChem (CID 71616954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).