1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone

C17H17ClO3 — CID 2803617

IUPAC1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H17ClO3/c1-11-8-15(5-6-16(11)18)21-10-14-9-13(12(2)19)4-7-17(14)20-3/h4-9H,10H2,1-3H3
InChIKeyJYCIAPZPVCQSNP-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.44
Rot. Bonds5

About 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone

1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone (PubChem CID 2803617) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
PubChem CID2803617
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H17ClO3/c1-11-8-15(5-6-16(11)18)21-10-14-9-13(12(2)19)4-7-17(14)20-3/h4-9H,10H2,1-3H3
InChIKeyJYCIAPZPVCQSNP-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone (CID 2803617) is 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The InChIKey is JYCIAPZPVCQSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11-8-15(5-6-16(11)18)21-10-14-9-13(12(2)19)4-7-17(14)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone?
1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone has a molecular weight of 304.77 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 2803617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).