1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone

C17H17ClO3 — CID 60627244

IUPAC1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1cc(C)ccc1Cl
InChIInChI=1S/C17H17ClO3/c1-11-4-6-15(18)17(8-11)21-10-14-9-13(12(2)19)5-7-16(14)20-3/h4-9H,10H2,1-3H3
InChIKeySWZUHHIMPRSJLU-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.44
Rot. Bonds5

About 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone

1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone (PubChem CID 60627244) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
PubChem CID60627244
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1cc(C)ccc1Cl
InChIInChI=1S/C17H17ClO3/c1-11-4-6-15(18)17(8-11)21-10-14-9-13(12(2)19)5-7-16(14)20-3/h4-9H,10H2,1-3H3
InChIKeySWZUHHIMPRSJLU-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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Related Compounds

1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011
1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 43414176
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154
ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
CID 170885623
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
CID 7705078

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone (CID 60627244) is 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1COc1cc(C)ccc1Cl.
What is the InChIKey of 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The InChIKey is SWZUHHIMPRSJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11-4-6-15(18)17(8-11)21-10-14-9-13(12(2)19)5-7-16(14)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone?
1-[3-[(2-chloro-5-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-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 60627244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).