2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one

C16H16O2 — CID 24867772

IUPAC2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1C(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16O2/c17-15-7-3-6-14(15)16(18)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14,16,18H,3,6-7H2
InChIKeyDAGNKZSTMNRBRU-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.24
Rot. Bonds2

About 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one

2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one (PubChem CID 24867772) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one
PubChem CID24867772
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1C(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16O2/c17-15-7-3-6-14(15)16(18)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14,16,18H,3,6-7H2
InChIKeyDAGNKZSTMNRBRU-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one (CID 24867772) is 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one is O=C1CCCC1C(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one?
The InChIKey is DAGNKZSTMNRBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-15-7-3-6-14(15)16(18)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14,16,18H,3,6-7H2.
What are the key properties of 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one?
2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one has a molecular weight of 240.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(naphthalen-2-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 24867772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).