1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone

C19H22O3 — CID 126558424

IUPAC1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone
SMILESCCCc1cc(C(C)=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H22O3/c1-3-7-17-14-16(15(2)20)10-11-19(17)22-13-12-21-18-8-5-4-6-9-18/h4-6,8-11,14H,3,7,12-13H2,1-2H3
InChIKeyXZJGVUGFPCDVHO-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.30
Rot. Bonds8

About 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone

1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone (PubChem CID 126558424) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone
PubChem CID126558424
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone
SMILESCCCc1cc(C(C)=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H22O3/c1-3-7-17-14-16(15(2)20)10-11-19(17)22-13-12-21-18-8-5-4-6-9-18/h4-6,8-11,14H,3,7,12-13H2,1-2H3
InChIKeyXZJGVUGFPCDVHO-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849540
1-(4-butoxy-3-ethylphenyl)ethanone
CID 90741782
decyl 3-(hydroxymethyl)-4-(2-phenoxyethoxy)benzoate
CID 135297927
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
CID 19910752
ethyl 2-hydroxy-2-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22458966
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849524
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
acetic acid;butoxybenzene
CID 162338086
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596
1-[3,4-di(nonoxy)phenyl]ethanone
CID 23127426

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone?
The IUPAC name of 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone (CID 126558424) is 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone?
The canonical SMILES for 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone is CCCc1cc(C(C)=O)ccc1OCCOc1ccccc1.
What is the InChIKey of 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone?
The InChIKey is XZJGVUGFPCDVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-7-17-14-16(15(2)20)10-11-19(17)22-13-12-21-18-8-5-4-6-9-18/h4-6,8-11,14H,3,7,12-13H2,1-2H3.
What are the key properties of 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone?
1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone has a molecular weight of 298.38 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone is sourced from PubChem (CID 126558424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).