2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane

C14H19BrO4 — CID 83959407

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(OC)c(OC)cc2Br)OCCO1
InChIInChI=1S/C14H19BrO4/c1-4-5-14(18-6-7-19-14)10-8-12(16-2)13(17-3)9-11(10)15/h8-9H,4-7H2,1-3H3
InChIKeyPCGSXABIGFSUGW-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane

2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane (PubChem CID 83959407) has the molecular formula C14H19BrO4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
PubChem CID83959407
Molecular FormulaC14H19BrO4
Molecular Weight331.21 g/mol
Exact Mass330.05
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(OC)c(OC)cc2Br)OCCO1
InChIInChI=1S/C14H19BrO4/c1-4-5-14(18-6-7-19-14)10-8-12(16-2)13(17-3)9-11(10)15/h8-9H,4-7H2,1-3H3
InChIKeyPCGSXABIGFSUGW-UHFFFAOYSA-N
XLogP3.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4,5-dimethoxyphenyl)-2-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

2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane
CID 83958152
2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane
CID 83949927
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
CID 117435002
2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane
CID 83958921
2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
CID 83957869
6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83949882
2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane
CID 83958722
3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 94277490
2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane
CID 83958342
2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane
CID 83957578

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane (CID 83959407) is 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane is CCCC1(c2cc(OC)c(OC)cc2Br)OCCO1.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane?
The InChIKey is PCGSXABIGFSUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO4/c1-4-5-14(18-6-7-19-14)10-8-12(16-2)13(17-3)9-11(10)15/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane?
2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane has a molecular weight of 331.21 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83959407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).