1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone

C16H16O3 — CID 3584432

IUPAC1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
SMILESCCOc1ccc(-c2ccc(C(C)=O)c(O)c2)cc1
InChIInChI=1S/C16H16O3/c1-3-19-14-7-4-12(5-8-14)13-6-9-15(11(2)17)16(18)10-13/h4-10,18H,3H2,1-2H3
InChIKeyDWDWQXSRXPLKRY-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.66
Rot. Bonds4

About 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone

1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone (PubChem CID 3584432) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
PubChem CID3584432
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
SMILESCCOc1ccc(-c2ccc(C(C)=O)c(O)c2)cc1
InChIInChI=1S/C16H16O3/c1-3-19-14-7-4-12(5-8-14)13-6-9-15(11(2)17)16(18)10-13/h4-10,18H,3H2,1-2H3
InChIKeyDWDWQXSRXPLKRY-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
CID 20716256
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 14523499
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
4-(4-ethoxyphenyl)benzamide
CID 163572533
2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
CID 24382
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
2-(2-acetyl-5-ethoxyphenyl)acetaldehyde
CID 53375331
1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone
CID 91620245

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone (CID 3584432) is 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone is CCOc1ccc(-c2ccc(C(C)=O)c(O)c2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone?
The InChIKey is DWDWQXSRXPLKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-19-14-7-4-12(5-8-14)13-6-9-15(11(2)17)16(18)10-13/h4-10,18H,3H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone?
1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 3584432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).