cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone

C15H18O3 — CID 24726750

IUPACcyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1)C1CCCC1
InChIInChI=1S/C15H18O3/c16-14(11-3-1-2-4-11)12-5-7-13(8-6-12)15-17-9-10-18-15/h5-8,11,15H,1-4,9-10H2
InChIKeyBWTSBMHNLIOJAL-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.10
Rot. Bonds3

About cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone

cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone (PubChem CID 24726750) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone
PubChem CID24726750
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namecyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1)C1CCCC1
InChIInChI=1S/C15H18O3/c16-14(11-3-1-2-4-11)12-5-7-13(8-6-12)15-17-9-10-18-15/h5-8,11,15H,1-4,9-10H2
InChIKeyBWTSBMHNLIOJAL-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The IUPAC name of cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone (CID 24726750) is cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone.
What is the SMILES notation for cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The canonical SMILES for cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone is O=C(c1ccc(C2OCCO2)cc1)C1CCCC1.
What is the InChIKey of cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The InChIKey is BWTSBMHNLIOJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-14(11-3-1-2-4-11)12-5-7-13(8-6-12)15-17-9-10-18-15/h5-8,11,15H,1-4,9-10H2.
What are the key properties of cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone has a molecular weight of 246.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone is sourced from PubChem (CID 24726750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).