2-[(4-chlorophenyl)methyl]oxolane

C11H13ClO — CID 11644089

IUPAC2-[(4-chlorophenyl)methyl]oxolane
SMILESClc1ccc(CC2CCCO2)cc1
InChIInChI=1S/C11H13ClO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2
InChIKeyDUUYEHAFCQJKME-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.06
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]oxolane

2-[(4-chlorophenyl)methyl]oxolane (PubChem CID 11644089) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]oxolane
PubChem CID11644089
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name2-[(4-chlorophenyl)methyl]oxolane
SMILESClc1ccc(CC2CCCO2)cc1
InChIInChI=1S/C11H13ClO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2
InChIKeyDUUYEHAFCQJKME-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 74647
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CID 10654689
Oxirane, 2-((4-chlorophenyl)methyl)-
CID 148012
8-[1-(4-Chlorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 9993849
Oxirane, 2-(4-chlorophenyl)-3-phenyl-, trans-(+-)-
CID 6453689
p-Chlorophenylbutylene oxide
CID 148860
2-(4-Chlorophenyl)ethyl acetate
CID 303102
1-(4-Chlorophenyl)propan-2-ol
CID 12499851
2-(4-Chlorophenyl)cyclohexan-1-ol
CID 20490854
2-(4-Chlorophenyl)cyclopentan-1-ol
CID 53621542

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]oxolane?
The IUPAC name of 2-[(4-chlorophenyl)methyl]oxolane (CID 11644089) is 2-[(4-chlorophenyl)methyl]oxolane.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]oxolane?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]oxolane is Clc1ccc(CC2CCCO2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]oxolane?
The InChIKey is DUUYEHAFCQJKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]oxolane?
2-[(4-chlorophenyl)methyl]oxolane has a molecular weight of 196.68 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]oxolane is sourced from PubChem (CID 11644089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).