2-[chloro-(3,4-dichlorophenyl)methyl]oxolane

C11H11Cl3O — CID 61086456

IUPAC2-[chloro-(3,4-dichlorophenyl)methyl]oxolane
SMILESClc1ccc(C(Cl)C2CCCO2)cc1Cl
InChIInChI=1S/C11H11Cl3O/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h3-4,6,10-11H,1-2,5H2
InChIKeyQDJXOILAUMPGNX-UHFFFAOYSA-N
MW265.57 g/mol
LogP4.45
Rot. Bonds2

About 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane

2-[chloro-(3,4-dichlorophenyl)methyl]oxolane (PubChem CID 61086456) has the molecular formula C11H11Cl3O and a molecular weight of 265.57 g/mol. Its IUPAC name is 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[chloro-(3,4-dichlorophenyl)methyl]oxolane
PubChem CID61086456
Molecular FormulaC11H11Cl3O
Molecular Weight265.57 g/mol
Exact Mass263.99
IUPAC Name2-[chloro-(3,4-dichlorophenyl)methyl]oxolane
SMILESClc1ccc(C(Cl)C2CCCO2)cc1Cl
InChIInChI=1S/C11H11Cl3O/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h3-4,6,10-11H,1-2,5H2
InChIKeyQDJXOILAUMPGNX-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)-chloromethyl]oxolane
CID 61081536
2-[chloro(phenyl)methyl]oxolane
CID 11084790
2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane
CID 116525931
2-[chloro-(3,4-diethoxyphenyl)methyl]oxolane
CID 61083960
(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913
2-[chloro-(4-methoxy-3-methylphenyl)methyl]oxane
CID 62215181
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]oxolane
CID 63431574
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
6-[chloro(oxan-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 62214454
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753
2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane?
The IUPAC name of 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane (CID 61086456) is 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane.
What is the SMILES notation for 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane?
The canonical SMILES for 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane is Clc1ccc(C(Cl)C2CCCO2)cc1Cl.
What is the InChIKey of 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane?
The InChIKey is QDJXOILAUMPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h3-4,6,10-11H,1-2,5H2.
What are the key properties of 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane?
2-[chloro-(3,4-dichlorophenyl)methyl]oxolane has a molecular weight of 265.57 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3,4-dichlorophenyl)methyl]oxolane is sourced from PubChem (CID 61086456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).