1-(2,3,4-tripropoxyphenyl)ethanone

C17H26O4 — CID 93191480

IUPAC1-(2,3,4-tripropoxyphenyl)ethanone
SMILESCCCOc1ccc(C(C)=O)c(OCCC)c1OCCC
InChIInChI=1S/C17H26O4/c1-5-10-19-15-9-8-14(13(4)18)16(20-11-6-2)17(15)21-12-7-3/h8-9H,5-7,10-12H2,1-4H3
InChIKeyQLGOFBODMOSODE-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.26
Rot. Bonds10

About 1-(2,3,4-tripropoxyphenyl)ethanone

1-(2,3,4-tripropoxyphenyl)ethanone (PubChem CID 93191480) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2,3,4-tripropoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3,4-tripropoxyphenyl)ethanone
PubChem CID93191480
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name1-(2,3,4-tripropoxyphenyl)ethanone
SMILESCCCOc1ccc(C(C)=O)c(OCCC)c1OCCC
InChIInChI=1S/C17H26O4/c1-5-10-19-15-9-8-14(13(4)18)16(20-11-6-2)17(15)21-12-7-3/h8-9H,5-7,10-12H2,1-4H3
InChIKeyQLGOFBODMOSODE-UHFFFAOYSA-N
XLogP4.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3,4-tripropoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-tridodecoxybenzamide
CID 172754331
ethyl 2-(2,3-dimethyl-4-propoxyphenyl)-2-oxoacetate
CID 82552544
1-(5-methylsulfanyl-2-propoxyphenyl)ethanone
CID 70152546
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
(2-hydroxy-3,4-dipropoxyphenyl) hydrogen carbonate
CID 69498730
5-acetyl-8-butoxy-1H-quinolin-2-one
CID 70951558
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone
CID 123152359
3-(3-ethylphenyl)-2-propoxy-1-(2,3,4-tripropoxyphenyl)prop-2-en-1-one
CID 54398967
4-[4-acetyl-3-(3-bromopropoxy)-2-propylphenoxy]butanoic acid
CID 21286995
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
6-acetyl-7-propoxychromen-2-one
CID 52940758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-tripropoxyphenyl)ethanone?
The IUPAC name of 1-(2,3,4-tripropoxyphenyl)ethanone (CID 93191480) is 1-(2,3,4-tripropoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,3,4-tripropoxyphenyl)ethanone?
The canonical SMILES for 1-(2,3,4-tripropoxyphenyl)ethanone is CCCOc1ccc(C(C)=O)c(OCCC)c1OCCC.
What is the InChIKey of 1-(2,3,4-tripropoxyphenyl)ethanone?
The InChIKey is QLGOFBODMOSODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-10-19-15-9-8-14(13(4)18)16(20-11-6-2)17(15)21-12-7-3/h8-9H,5-7,10-12H2,1-4H3.
What are the key properties of 1-(2,3,4-tripropoxyphenyl)ethanone?
1-(2,3,4-tripropoxyphenyl)ethanone has a molecular weight of 294.39 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-tripropoxyphenyl)ethanone is sourced from PubChem (CID 93191480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).