3-(2,4-dimethylphenyl)cyclohept-2-en-1-one

C15H18O — CID 107382852

IUPAC3-(2,4-dimethylphenyl)cyclohept-2-en-1-one
SMILESCc1ccc(C2=CC(=O)CCCC2)c(C)c1
InChIInChI=1S/C15H18O/c1-11-7-8-15(12(2)9-11)13-5-3-4-6-14(16)10-13/h7-10H,3-6H2,1-2H3
InChIKeyWWFWOYZLJWNQHD-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.83
Rot. Bonds1

About 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one

3-(2,4-dimethylphenyl)cyclohept-2-en-1-one (PubChem CID 107382852) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)cyclohept-2-en-1-one
PubChem CID107382852
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-(2,4-dimethylphenyl)cyclohept-2-en-1-one
SMILESCc1ccc(C2=CC(=O)CCCC2)c(C)c1
InChIInChI=1S/C15H18O/c1-11-7-8-15(12(2)9-11)13-5-3-4-6-14(16)10-13/h7-10H,3-6H2,1-2H3
InChIKeyWWFWOYZLJWNQHD-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one?
The IUPAC name of 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one (CID 107382852) is 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one is Cc1ccc(C2=CC(=O)CCCC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one?
The InChIKey is WWFWOYZLJWNQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11-7-8-15(12(2)9-11)13-5-3-4-6-14(16)10-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one?
3-(2,4-dimethylphenyl)cyclohept-2-en-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)cyclohept-2-en-1-one is sourced from PubChem (CID 107382852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).