6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one

C16H18O — CID 11470178

IUPAC6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one
SMILESCCCC1(C)C=CC(c2ccccc2)=CC1=O
InChIInChI=1S/C16H18O/c1-3-10-16(2)11-9-14(12-15(16)17)13-7-5-4-6-8-13/h4-9,11-12H,3,10H2,1-2H3
InChIKeyGNDLDTIYMRMBRI-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.02
Rot. Bonds3

About 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one

6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one (PubChem CID 11470178) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one
PubChem CID11470178
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one
SMILESCCCC1(C)C=CC(c2ccccc2)=CC1=O
InChIInChI=1S/C16H18O/c1-3-10-16(2)11-9-14(12-15(16)17)13-7-5-4-6-8-13/h4-9,11-12H,3,10H2,1-2H3
InChIKeyGNDLDTIYMRMBRI-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one (CID 11470178) is 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one is CCCC1(C)C=CC(c2ccccc2)=CC1=O.
What is the InChIKey of 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one?
The InChIKey is GNDLDTIYMRMBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-3-10-16(2)11-9-14(12-15(16)17)13-7-5-4-6-8-13/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one?
6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one has a molecular weight of 226.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 11470178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).