3-methyl-6-phenoxycyclohex-2-en-1-one

C13H14O2 — CID 139765945

IUPAC3-methyl-6-phenoxycyclohex-2-en-1-one
SMILESCC1=CC(=O)C(Oc2ccccc2)CC1
InChIInChI=1S/C13H14O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-6,9,13H,7-8H2,1H3
InChIKeyGLCNUEUGVZVMOZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.74
Rot. Bonds2

About 3-methyl-6-phenoxycyclohex-2-en-1-one

3-methyl-6-phenoxycyclohex-2-en-1-one (PubChem CID 139765945) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-methyl-6-phenoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methyl-6-phenoxycyclohex-2-en-1-one
PubChem CID139765945
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-methyl-6-phenoxycyclohex-2-en-1-one
SMILESCC1=CC(=O)C(Oc2ccccc2)CC1
InChIInChI=1S/C13H14O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-6,9,13H,7-8H2,1H3
InChIKeyGLCNUEUGVZVMOZ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenoxycyclohex-2-en-1-one?
The IUPAC name of 3-methyl-6-phenoxycyclohex-2-en-1-one (CID 139765945) is 3-methyl-6-phenoxycyclohex-2-en-1-one.
What is the SMILES notation for 3-methyl-6-phenoxycyclohex-2-en-1-one?
The canonical SMILES for 3-methyl-6-phenoxycyclohex-2-en-1-one is CC1=CC(=O)C(Oc2ccccc2)CC1.
What is the InChIKey of 3-methyl-6-phenoxycyclohex-2-en-1-one?
The InChIKey is GLCNUEUGVZVMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-6,9,13H,7-8H2,1H3.
What are the key properties of 3-methyl-6-phenoxycyclohex-2-en-1-one?
3-methyl-6-phenoxycyclohex-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenoxycyclohex-2-en-1-one is sourced from PubChem (CID 139765945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).