1-(4-chloro-3,5-dimethylphenyl)propan-2-one

C11H13ClO — CID 84774110

IUPAC1-(4-chloro-3,5-dimethylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C11H13ClO/c1-7-4-10(6-9(3)13)5-8(2)11(7)12/h4-5H,6H2,1-3H3
InChIKeyUGAPKFCMFVRNKE-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-chloro-3,5-dimethylphenyl)propan-2-one

1-(4-chloro-3,5-dimethylphenyl)propan-2-one (PubChem CID 84774110) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylphenyl)propan-2-one
PubChem CID84774110
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name1-(4-chloro-3,5-dimethylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C11H13ClO/c1-7-4-10(6-9(3)13)5-8(2)11(7)12/h4-5H,6H2,1-3H3
InChIKeyUGAPKFCMFVRNKE-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-amino-3,5-dimethylphenyl)propan-2-one
CID 84767449
1-[4-methyl-3,5-bis(2-oxopropyl)phenyl]propan-2-one
CID 66898502
2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid
CID 84775971
1-(4-bromo-3-methoxy-5-methylphenyl)propan-2-one
CID 84805482
1-(3,4,5-trihydroxyphenyl)propan-2-one
CID 55250541
1-[4-(bromomethyl)-3-methylphenyl]propan-2-one
CID 131190669
4-(4-chloro-3,5-dimethylphenoxy)butan-2-one
CID 39246924
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(2-chloro-3-methylphenyl)propan-2-one
CID 67126230
(2R)-2-[(1R)-1-carboxy-2-(4-chloro-3,5-dimethylphenyl)ethoxy]-3-(4-chloro-3,5-dimethylphenyl)propanoic acid
CID 142781477
1-[3-(chloromethyl)-5-(difluoromethyl)phenyl]propan-2-one
CID 131413916
1-[3-bromo-5-(chloromethyl)phenyl]propan-2-one
CID 131096497

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(4-chloro-3,5-dimethylphenyl)propan-2-one (CID 84774110) is 1-(4-chloro-3,5-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(4-chloro-3,5-dimethylphenyl)propan-2-one is CC(=O)Cc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3,5-dimethylphenyl)propan-2-one?
The InChIKey is UGAPKFCMFVRNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-7-4-10(6-9(3)13)5-8(2)11(7)12/h4-5H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-3,5-dimethylphenyl)propan-2-one?
1-(4-chloro-3,5-dimethylphenyl)propan-2-one has a molecular weight of 196.68 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylphenyl)propan-2-one is sourced from PubChem (CID 84774110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).