5-(2,3-dimethylphenyl)heptan-2-one

C15H22O — CID 83921989

IUPAC5-(2,3-dimethylphenyl)heptan-2-one
SMILESCCC(CCC(C)=O)c1cccc(C)c1C
InChIInChI=1S/C15H22O/c1-5-14(10-9-12(3)16)15-8-6-7-11(2)13(15)4/h6-8,14H,5,9-10H2,1-4H3
InChIKeyUUHGWZKDPQPXLO-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.17
Rot. Bonds5

About 5-(2,3-dimethylphenyl)heptan-2-one

5-(2,3-dimethylphenyl)heptan-2-one (PubChem CID 83921989) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)heptan-2-one.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)heptan-2-one
PubChem CID83921989
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name5-(2,3-dimethylphenyl)heptan-2-one
SMILESCCC(CCC(C)=O)c1cccc(C)c1C
InChIInChI=1S/C15H22O/c1-5-14(10-9-12(3)16)15-8-6-7-11(2)13(15)4/h6-8,14H,5,9-10H2,1-4H3
InChIKeyUUHGWZKDPQPXLO-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,4-dimethylphenyl)heptan-2-one
CID 83927995
5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
CID 83939803
5-(2-hydroxy-3-methoxyphenyl)heptan-2-one
CID 83930594
2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid
CID 151596439
5-(3,5-dimethylphenyl)heptan-2-one
CID 83922345
5-chloro-5-(2-methylphenyl)pentan-2-one
CID 82126784
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
5-(4-methylsulfonylphenyl)heptan-2-one
CID 83926296
5-(2,3-dimethylphenyl)hexanoic acid
CID 68852167
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968
(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)heptan-2-one?
The IUPAC name of 5-(2,3-dimethylphenyl)heptan-2-one (CID 83921989) is 5-(2,3-dimethylphenyl)heptan-2-one.
What is the SMILES notation for 5-(2,3-dimethylphenyl)heptan-2-one?
The canonical SMILES for 5-(2,3-dimethylphenyl)heptan-2-one is CCC(CCC(C)=O)c1cccc(C)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)heptan-2-one?
The InChIKey is UUHGWZKDPQPXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-14(10-9-12(3)16)15-8-6-7-11(2)13(15)4/h6-8,14H,5,9-10H2,1-4H3.
What are the key properties of 5-(2,3-dimethylphenyl)heptan-2-one?
5-(2,3-dimethylphenyl)heptan-2-one has a molecular weight of 218.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)heptan-2-one is sourced from PubChem (CID 83921989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).