4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one

C18H16O2 — CID 11021760

IUPAC4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one
SMILESO=C1CC(COc2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C18H16O2/c19-18-12-14(13-20-16-9-5-2-6-10-16)11-17(18)15-7-3-1-4-8-15/h1-11,14H,12-13H2
InChIKeyLNSMJAKNPRQEJV-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.74
Rot. Bonds4

About 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one

4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one (PubChem CID 11021760) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one
PubChem CID11021760
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one
SMILESO=C1CC(COc2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C18H16O2/c19-18-12-14(13-20-16-9-5-2-6-10-16)11-17(18)15-7-3-1-4-8-15/h1-11,14H,12-13H2
InChIKeyLNSMJAKNPRQEJV-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14399287
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Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one?
The IUPAC name of 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one (CID 11021760) is 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one?
The canonical SMILES for 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one is O=C1CC(COc2ccccc2)C=C1c1ccccc1.
What is the InChIKey of 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one?
The InChIKey is LNSMJAKNPRQEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-18-12-14(13-20-16-9-5-2-6-10-16)11-17(18)15-7-3-1-4-8-15/h1-11,14H,12-13H2.
What are the key properties of 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one?
4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 11021760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).