1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one

C15H22O3 — CID 114493928

IUPAC1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one
SMILESCCC(O)(CC)COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C15H22O3/c1-4-15(17,5-2)11-18-14-8-6-13(7-9-14)10-12(3)16/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyDGEOIJDOCXQQFB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.75
Rot. Bonds7

About 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one

1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one (PubChem CID 114493928) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one
PubChem CID114493928
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one
SMILESCCC(O)(CC)COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C15H22O3/c1-4-15(17,5-2)11-18-14-8-6-13(7-9-14)10-12(3)16/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyDGEOIJDOCXQQFB-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(bromomethyl)-2-ethylbutoxy]phenyl]propan-2-one
CID 113322922
1-[4-(ethoxymethoxy)phenyl]propan-2-one
CID 115495404
3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol
CID 115919540
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
3-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491976
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
3-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pentan-3-ol
CID 104930422
1-[4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-one
CID 116615978
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
CID 3079549
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
[4-(2-oxopropyl)phenyl] carbonochloridate
CID 115496228

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one?
The IUPAC name of 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one (CID 114493928) is 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one is CCC(O)(CC)COc1ccc(CC(C)=O)cc1.
What is the InChIKey of 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one?
The InChIKey is DGEOIJDOCXQQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-15(17,5-2)11-18-14-8-6-13(7-9-14)10-12(3)16/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one?
1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one is sourced from PubChem (CID 114493928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).