1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol

C12H15ClO2 — CID 63563407

IUPAC1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)C1CCOC1
InChIInChI=1S/C12H15ClO2/c1-12(14,10-6-7-15-8-10)9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3
InChIKeyUQJNNOSARPHJFY-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.58
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol

1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol (PubChem CID 63563407) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol
PubChem CID63563407
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)C1CCOC1
InChIInChI=1S/C12H15ClO2/c1-12(14,10-6-7-15-8-10)9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3
InChIKeyUQJNNOSARPHJFY-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol (CID 63563407) is 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol is CC(O)(c1ccc(Cl)cc1)C1CCOC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol?
The InChIKey is UQJNNOSARPHJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-12(14,10-6-7-15-8-10)9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol?
1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol has a molecular weight of 226.70 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 63563407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).