1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone

C17H18O4 — CID 61229921

IUPAC1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
SMILESCCOc1ccccc1C(=O)COc1ccc(CO)cc1
InChIInChI=1S/C17H18O4/c1-2-20-17-6-4-3-5-15(17)16(19)12-21-14-9-7-13(11-18)8-10-14/h3-10,18H,2,11-12H2,1H3
InChIKeyVRTIMOKWIHNTNV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.84
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone

1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone (PubChem CID 61229921) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
PubChem CID61229921
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
SMILESCCOc1ccccc1C(=O)COc1ccc(CO)cc1
InChIInChI=1S/C17H18O4/c1-2-20-17-6-4-3-5-15(17)16(19)12-21-14-9-7-13(11-18)8-10-14/h3-10,18H,2,11-12H2,1H3
InChIKeyVRTIMOKWIHNTNV-UHFFFAOYSA-N
XLogP2.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 63649372
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
2-[4-(2-hydroxyethyl)phenoxy]-1-(2-methoxyphenyl)ethanone
CID 107709230
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
2-ethoxybenzoyl bromide
CID 19426336
2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
2-(2,5-difluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 63269700
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone (CID 61229921) is 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone is CCOc1ccccc1C(=O)COc1ccc(CO)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone?
The InChIKey is VRTIMOKWIHNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-17-6-4-3-5-15(17)16(19)12-21-14-9-7-13(11-18)8-10-14/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone?
1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone has a molecular weight of 286.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone is sourced from PubChem (CID 61229921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).