2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one

C24H28O3 — CID 70019815

IUPAC2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one
SMILESO=C1CCC(O)C1Cc1ccccc1.O=C1CCCC1Cc1ccccc1
InChIInChI=1S/C12H14O2.C12H14O/c13-11-6-7-12(14)10(11)8-9-4-2-1-3-5-9;13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-5,10-11,13H,6-8H2;1-3,5-6,11H,4,7-9H2
InChIKeyMLFJFQTXQAQLDB-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.17
Rot. Bonds4

About 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one

2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one (PubChem CID 70019815) has the molecular formula C24H28O3 and a molecular weight of 364.48 g/mol. Its IUPAC name is 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one.

Molecular Properties

Compound Name2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one
PubChem CID70019815
Molecular FormulaC24H28O3
Molecular Weight364.48 g/mol
Exact Mass364.20
IUPAC Name2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one
SMILESO=C1CCC(O)C1Cc1ccccc1.O=C1CCCC1Cc1ccccc1
InChIInChI=1S/C12H14O2.C12H14O/c13-11-6-7-12(14)10(11)8-9-4-2-1-3-5-9;13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-5,10-11,13H,6-8H2;1-3,5-6,11H,4,7-9H2
InChIKeyMLFJFQTXQAQLDB-UHFFFAOYSA-N
XLogP4.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one?
The IUPAC name of 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one (CID 70019815) is 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one.
What is the SMILES notation for 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one?
The canonical SMILES for 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one is O=C1CCC(O)C1Cc1ccccc1.O=C1CCCC1Cc1ccccc1.
What is the InChIKey of 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one?
The InChIKey is MLFJFQTXQAQLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C12H14O/c13-11-6-7-12(14)10(11)8-9-4-2-1-3-5-9;13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-5,10-11,13H,6-8H2;1-3,5-6,11H,4,7-9H2.
What are the key properties of 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one?
2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one has a molecular weight of 364.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylcyclopentan-1-one;2-benzyl-3-hydroxycyclopentan-1-one is sourced from PubChem (CID 70019815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).