3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one

C14H16O2 — CID 169225392

IUPAC3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one
SMILESCOc1cc(C)ccc1C1=C(C)C(=O)CC1
InChIInChI=1S/C14H16O2/c1-9-4-5-12(14(8-9)16-3)11-6-7-13(15)10(11)2/h4-5,8H,6-7H2,1-3H3
InChIKeyMWYNWQXDEHTABB-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.14
Rot. Bonds2

About 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one

3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one (PubChem CID 169225392) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one
PubChem CID169225392
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one
SMILESCOc1cc(C)ccc1C1=C(C)C(=O)CC1
InChIInChI=1S/C14H16O2/c1-9-4-5-12(14(8-9)16-3)11-6-7-13(15)10(11)2/h4-5,8H,6-7H2,1-3H3
InChIKeyMWYNWQXDEHTABB-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one (CID 169225392) is 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one is COc1cc(C)ccc1C1=C(C)C(=O)CC1.
What is the InChIKey of 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one?
The InChIKey is MWYNWQXDEHTABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-4-5-12(14(8-9)16-3)11-6-7-13(15)10(11)2/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one?
3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 169225392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).