3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one

C17H17ClO2 — CID 104844961

IUPAC3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
SMILESCOc1ccc(Cl)cc1CC(C)C(=O)c1ccccc1
InChIInChI=1S/C17H17ClO2/c1-12(17(19)13-6-4-3-5-7-13)10-14-11-15(18)8-9-16(14)20-2/h3-9,11-12H,10H2,1-2H3
InChIKeyANRQSFXQAWENMC-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.41
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one

3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one (PubChem CID 104844961) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
PubChem CID104844961
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
SMILESCOc1ccc(Cl)cc1CC(C)C(=O)c1ccccc1
InChIInChI=1S/C17H17ClO2/c1-12(17(19)13-6-4-3-5-7-13)10-14-11-15(18)8-9-16(14)20-2/h3-9,11-12H,10H2,1-2H3
InChIKeyANRQSFXQAWENMC-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-one
CID 63548794
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
(2R)-3-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylpropanoic acid
CID 100547414
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid
CID 98822940
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
(Z)-3-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpent-2-enoic acid
CID 82092658
3-[(5-chloro-2-methoxyphenyl)methyl]pentan-2-one
CID 60999984
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one (CID 104844961) is 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one is COc1ccc(Cl)cc1CC(C)C(=O)c1ccccc1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one?
The InChIKey is ANRQSFXQAWENMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12(17(19)13-6-4-3-5-7-13)10-14-11-15(18)8-9-16(14)20-2/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one?
3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one has a molecular weight of 288.77 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 104844961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).