1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone

C17H17ClO3 — CID 82051875

IUPAC1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
SMILESCOCC(=O)c1cc(C)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-12-3-8-17(15(9-12)16(19)11-20-2)21-10-13-4-6-14(18)7-5-13/h3-9H,10-11H2,1-2H3
InChIKeySJMDOUCLUSIGEG-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.06
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone

1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone (PubChem CID 82051875) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
PubChem CID82051875
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
SMILESCOCC(=O)c1cc(C)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-12-3-8-17(15(9-12)16(19)11-20-2)21-10-13-4-6-14(18)7-5-13/h3-9H,10-11H2,1-2H3
InChIKeySJMDOUCLUSIGEG-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 82051856
3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one
CID 82051895
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobutanoic acid
CID 82051889
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
(4-methylphenyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 7901065
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide
CID 23219702
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
CID 11243259

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone (CID 82051875) is 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone is COCC(=O)c1cc(C)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone?
The InChIKey is SJMDOUCLUSIGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-12-3-8-17(15(9-12)16(19)11-20-2)21-10-13-4-6-14(18)7-5-13/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone?
1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone has a molecular weight of 304.77 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone is sourced from PubChem (CID 82051875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).