2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole

C10H8Cl2O2 — CID 71772683

IUPAC2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole
SMILESClc1cccc(CC2OC=CO2)c1Cl
InChIInChI=1S/C10H8Cl2O2/c11-8-3-1-2-7(10(8)12)6-9-13-4-5-14-9/h1-5,9H,6H2
InChIKeyCGDUJLXOUCZPMW-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.38
Rot. Bonds2

About 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole

2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole (PubChem CID 71772683) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole
PubChem CID71772683
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole
SMILESClc1cccc(CC2OC=CO2)c1Cl
InChIInChI=1S/C10H8Cl2O2/c11-8-3-1-2-7(10(8)12)6-9-13-4-5-14-9/h1-5,9H,6H2
InChIKeyCGDUJLXOUCZPMW-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane
CID 151472079
1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990
(2,3-dichlorophenyl)methylazanium
CID 6951258
4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 137332938
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
(2R)-2-[(2,3-dichlorophenyl)methoxymethyl]oxirane
CID 97180060
3-[(2,3-dichlorophenyl)methyl]cyclopentan-1-ol
CID 107310340
1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene
CID 107309484
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole (CID 71772683) is 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole is Clc1cccc(CC2OC=CO2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole?
The InChIKey is CGDUJLXOUCZPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c11-8-3-1-2-7(10(8)12)6-9-13-4-5-14-9/h1-5,9H,6H2.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole?
2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole has a molecular weight of 231.08 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole is sourced from PubChem (CID 71772683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).