1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one

C18H22O — CID 143865279

IUPAC1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one
SMILESCc1cccc(CC(=O)CC2=CC(C(C)C)=CC2)c1
InChIInChI=1S/C18H22O/c1-13(2)17-8-7-16(10-17)12-18(19)11-15-6-4-5-14(3)9-15/h4-6,8-10,13H,7,11-12H2,1-3H3
InChIKeyGGKWCLIBOMDPIO-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.41
Rot. Bonds5

About 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one

1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one (PubChem CID 143865279) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one
PubChem CID143865279
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one
SMILESCc1cccc(CC(=O)CC2=CC(C(C)C)=CC2)c1
InChIInChI=1S/C18H22O/c1-13(2)17-8-7-16(10-17)12-18(19)11-15-6-4-5-14(3)9-15/h4-6,8-10,13H,7,11-12H2,1-3H3
InChIKeyGGKWCLIBOMDPIO-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one?
The IUPAC name of 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one (CID 143865279) is 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one.
What is the SMILES notation for 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one?
The canonical SMILES for 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one is Cc1cccc(CC(=O)CC2=CC(C(C)C)=CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one?
The InChIKey is GGKWCLIBOMDPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13(2)17-8-7-16(10-17)12-18(19)11-15-6-4-5-14(3)9-15/h4-6,8-10,13H,7,11-12H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one?
1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one has a molecular weight of 254.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one is sourced from PubChem (CID 143865279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).