4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one

C15H22O4 — CID 63932166

IUPAC4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
SMILESCCOCC(O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C15H22O4/c1-3-18-10-14(17)11-19-15-8-6-13(7-9-15)5-4-12(2)16/h6-9,14,17H,3-5,10-11H2,1-2H3
InChIKeyXXHFMVOYVSBFTR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.98
Rot. Bonds9

About 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one

4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one (PubChem CID 63932166) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
PubChem CID63932166
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
SMILESCCOCC(O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C15H22O4/c1-3-18-10-14(17)11-19-15-8-6-13(7-9-15)5-4-12(2)16/h6-9,14,17H,3-5,10-11H2,1-2H3
InChIKeyXXHFMVOYVSBFTR-UHFFFAOYSA-N
XLogP1.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium
CID 2093135
1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol
CID 115495613
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 78954639
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
4-[4-[2-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]butan-2-one
CID 51223278
[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 7814904
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
CID 43531533
4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
CID 110885738
1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one?
The IUPAC name of 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one (CID 63932166) is 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one.
What is the SMILES notation for 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one?
The canonical SMILES for 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one is CCOCC(O)COc1ccc(CCC(C)=O)cc1.
What is the InChIKey of 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one?
The InChIKey is XXHFMVOYVSBFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-18-10-14(17)11-19-15-8-6-13(7-9-15)5-4-12(2)16/h6-9,14,17H,3-5,10-11H2,1-2H3.
What are the key properties of 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one?
4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one is sourced from PubChem (CID 63932166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).