4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one

C13H14O2 — CID 15525081

IUPAC4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one
SMILESCOC1(C)C=C(c2ccccc2)C(=O)C1
InChIInChI=1S/C13H14O2/c1-13(15-2)8-11(12(14)9-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyWHTUGYUOSRVHDH-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.45
Rot. Bonds2

About 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one

4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one (PubChem CID 15525081) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one
PubChem CID15525081
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one
SMILESCOC1(C)C=C(c2ccccc2)C(=O)C1
InChIInChI=1S/C13H14O2/c1-13(15-2)8-11(12(14)9-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyWHTUGYUOSRVHDH-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
CID 150430637
4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one
CID 10398466
5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
CID 142736509
methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate
CID 11523453
2,2-dimethoxy-4,5-diphenylcyclopent-4-ene-1,3-dione
CID 135004291
3,5,5-trimethoxy-2-phenylcyclohexa-1,3-diene
CID 45116827
1,1'-biphenyl;methoxyphosphane
CID 69051753
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
5-methyl-4-phenyl-1,3-dihydropyrrol-2-one
CID 11469349
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
1,1'-biphenyl;methoxy-methyl-oxophosphanium
CID 91013313

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one?
The IUPAC name of 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one (CID 15525081) is 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one?
The canonical SMILES for 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one is COC1(C)C=C(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one?
The InChIKey is WHTUGYUOSRVHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-13(15-2)8-11(12(14)9-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3.
What are the key properties of 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one?
4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 15525081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).