2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane

C12H14Cl2O2 — CID 57255262

IUPAC2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane
SMILESCC(CC1OCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2O2/c1-8(6-12-15-4-5-16-12)9-2-3-10(13)11(14)7-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyATCCBDRWTSHURJ-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.86
Rot. Bonds3

About 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane

2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane (PubChem CID 57255262) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane
PubChem CID57255262
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane
SMILESCC(CC1OCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2O2/c1-8(6-12-15-4-5-16-12)9-2-3-10(13)11(14)7-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyATCCBDRWTSHURJ-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene
CID 2757492
2-(3,4-Dichlorophenyl)-1,3-dioxolane
CID 57308617
2-[2-(4-Chlorophenyl)ethyl]-1,3-dioxolane
CID 102163932
2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane
CID 383348
2-[Bis(4-chlorophenyl)methyl]-1,3-dioxolane
CID 253118
2-[2-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]ethyl]-1,3-dioxolane
CID 11499798
2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane
CID 72985619
2-(3,4-Dichlorophenyl)-2-methyl-1,3-dioxolane
CID 83957855
2-[(2-Chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane
CID 123878372
rac-2-[(2-Chlorophenyl)(4-chlorophenyl)methyl]-1,3-dioxolane
CID 139083996
(2R,4S)-4-(4-chlorophenyl)-2-methoxyoxolane
CID 155931982
2-[3-(4-Chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane
CID 11086522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane (CID 57255262) is 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane is CC(CC1OCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane?
The InChIKey is ATCCBDRWTSHURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-8(6-12-15-4-5-16-12)9-2-3-10(13)11(14)7-9/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane?
2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane has a molecular weight of 261.15 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)propyl]-1,3-dioxolane is sourced from PubChem (CID 57255262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).