1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone

C12H15ClO3 — CID 22015651

IUPAC1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
SMILESCCC(Cl)Oc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C12H15ClO3/c1-4-12(13)16-10-6-5-9(8(2)14)7-11(10)15-3/h5-7,12H,4H2,1-3H3
InChIKeyRFJLBAKXWMNSLU-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.25
Rot. Bonds5

About 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone

1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone (PubChem CID 22015651) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
PubChem CID22015651
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
SMILESCCC(Cl)Oc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C12H15ClO3/c1-4-12(13)16-10-6-5-9(8(2)14)7-11(10)15-3/h5-7,12H,4H2,1-3H3
InChIKeyRFJLBAKXWMNSLU-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
CID 43822990
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide
CID 63575469
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
4-methoxy-3-pentan-3-yloxybenzoyl chloride
CID 21187835

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone (CID 22015651) is 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone is CCC(Cl)Oc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone?
The InChIKey is RFJLBAKXWMNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-12(13)16-10-6-5-9(8(2)14)7-11(10)15-3/h5-7,12H,4H2,1-3H3.
What are the key properties of 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone?
1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone has a molecular weight of 242.70 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone is sourced from PubChem (CID 22015651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).