1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone

C19H22O4 — CID 18387003

IUPAC1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone
SMILESCOc1ccc(C(=O)COC(C)OCCc2ccccc2)cc1
InChIInChI=1S/C19H22O4/c1-15(22-13-12-16-6-4-3-5-7-16)23-14-19(20)17-8-10-18(21-2)11-9-17/h3-11,15H,12-14H2,1-2H3
InChIKeySJTDMUVPOYYISB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.50
Rot. Bonds9

About 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone

1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone (PubChem CID 18387003) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone
PubChem CID18387003
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone
SMILESCOc1ccc(C(=O)COC(C)OCCc2ccccc2)cc1
InChIInChI=1S/C19H22O4/c1-15(22-13-12-16-6-4-3-5-7-16)23-14-19(20)17-8-10-18(21-2)11-9-17/h3-11,15H,12-14H2,1-2H3
InChIKeySJTDMUVPOYYISB-UHFFFAOYSA-N
XLogP3.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate
CID 167437972
(2S)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid;(2R)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 157441521
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265
5-(4-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759684
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone (CID 18387003) is 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone is COc1ccc(C(=O)COC(C)OCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone?
The InChIKey is SJTDMUVPOYYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-15(22-13-12-16-6-4-3-5-7-16)23-14-19(20)17-8-10-18(21-2)11-9-17/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone?
1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone has a molecular weight of 314.38 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone is sourced from PubChem (CID 18387003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).