2-[(2-chlorophenoxy)methyl]-1,3-dioxolane

C10H11ClO3 — CID 82078485

IUPAC2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
SMILESClc1ccccc1OCC1OCCO1
InChIInChI=1S/C10H11ClO3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyQYJGEURLIRQHOL-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.09
Rot. Bonds3

About 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane

2-[(2-chlorophenoxy)methyl]-1,3-dioxolane (PubChem CID 82078485) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
PubChem CID82078485
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
SMILESClc1ccccc1OCC1OCCO1
InChIInChI=1S/C10H11ClO3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyQYJGEURLIRQHOL-UHFFFAOYSA-N
XLogP2.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
[2-[(2-chlorophenoxy)methyl]cyclopropyl]methanol
CID 112547364
6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 83823125
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
CID 57305157
2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane
CID 82091052
4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylic acid
CID 146471518
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane
CID 82086347
2-[(2-chlorophenoxy)methyl]prop-2-ene-1-thiol
CID 103073622
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane (CID 82078485) is 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane is Clc1ccccc1OCC1OCCO1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane?
The InChIKey is QYJGEURLIRQHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,10H,5-7H2.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane?
2-[(2-chlorophenoxy)methyl]-1,3-dioxolane has a molecular weight of 214.65 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1,3-dioxolane is sourced from PubChem (CID 82078485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).