3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one

C13H12O2 — CID 10921537

IUPAC3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one
SMILESC=C1C(OC)=CC(=O)C1c1ccccc1
InChIInChI=1S/C13H12O2/c1-9-12(15-2)8-11(14)13(9)10-6-4-3-5-7-10/h3-8,13H,1H2,2H3
InChIKeyKJZQZYNYMGALHW-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.44
Rot. Bonds2

About 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one

3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one (PubChem CID 10921537) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one
PubChem CID10921537
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one
SMILESC=C1C(OC)=CC(=O)C1c1ccccc1
InChIInChI=1S/C13H12O2/c1-9-12(15-2)8-11(14)13(9)10-6-4-3-5-7-10/h3-8,13H,1H2,2H3
InChIKeyKJZQZYNYMGALHW-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzyl-3-hydroxycyclopent-2-enone
CID 15187907
3-Hydroxy-2-phenylcyclopent-2-en-1-one
CID 14470518
4-Methoxy-6-methyl-3-phenylpyran-2-one
CID 15786775
2-(1-Methoxy-3-phenyl-propylidene)-cyclopent-4-ene-1,3-dione
CID 44291692
4-Benzyl-3-hydroxy-2-methylcyclopent-2-en-1-one
CID 127046601
4-Benzyl-3-hydroxycyclopent-2-en-1-one
CID 127048070
5-Benzyl-4-ethyl-6-(2-methoxyethyl)cyclohex-4-ene-1,3-dione
CID 3008277
5-Benzyl-4-isopropyl-6-(2-methoxyethyl)cyclohex-4-ene-1,3-dione
CID 3008278
1H-Cyclopenta[c]furan-5(3H)-one, 3a,4-dihydro-6-phenyl-
CID 10262188
Ethyl 5-phenylcyclopentene-1-carboxylate
CID 11514036
Methyl 2-methylidene-3-phenylbutanoate
CID 12180903
3-Methoxyinden-1-one
CID 12666139

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one (CID 10921537) is 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one is C=C1C(OC)=CC(=O)C1c1ccccc1.
What is the InChIKey of 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one?
The InChIKey is KJZQZYNYMGALHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-12(15-2)8-11(14)13(9)10-6-4-3-5-7-10/h3-8,13H,1H2,2H3.
What are the key properties of 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one?
3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 10921537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).