1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone

C19H21ClO4 — CID 122457160

IUPAC1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone
SMILESCOCCCOc1cc(CC(=O)c2cccc(Cl)c2)ccc1OC
InChIInChI=1S/C19H21ClO4/c1-22-9-4-10-24-19-12-14(7-8-18(19)23-2)11-17(21)15-5-3-6-16(20)13-15/h3,5-8,12-13H,4,9-11H2,1-2H3
InChIKeyJPFPJTZAGKFMGA-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.19
Rot. Bonds9

About 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone

1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone (PubChem CID 122457160) has the molecular formula C19H21ClO4 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone
PubChem CID122457160
Molecular FormulaC19H21ClO4
Molecular Weight348.83 g/mol
Exact Mass348.11
IUPAC Name1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone
SMILESCOCCCOc1cc(CC(=O)c2cccc(Cl)c2)ccc1OC
InChIInChI=1S/C19H21ClO4/c1-22-9-4-10-24-19-12-14(7-8-18(19)23-2)11-17(21)15-5-3-6-16(20)13-15/h3,5-8,12-13H,4,9-11H2,1-2H3
InChIKeyJPFPJTZAGKFMGA-UHFFFAOYSA-N
XLogP4.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-one
CID 121301650
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CID 107956974
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
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[4-methoxy-3-(3-methoxypropoxy)benzoyl]chloranium
CID 147794030
1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413945
2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 62505653
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone (CID 122457160) is 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone is COCCCOc1cc(CC(=O)c2cccc(Cl)c2)ccc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone?
The InChIKey is JPFPJTZAGKFMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO4/c1-22-9-4-10-24-19-12-14(7-8-18(19)23-2)11-17(21)15-5-3-6-16(20)13-15/h3,5-8,12-13H,4,9-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone?
1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone has a molecular weight of 348.83 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone is sourced from PubChem (CID 122457160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).