2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene

C11H14Br2O3 — CID 11681892

IUPAC2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene
SMILESCOc1cc(OC)c(OC(C)C)c(Br)c1Br
InChIInChI=1S/C11H14Br2O3/c1-6(2)16-11-8(15-4)5-7(14-3)9(12)10(11)13/h5-6H,1-4H3
InChIKeyHVRNGRKHSKSNMV-UHFFFAOYSA-N
MW354.04 g/mol
LogP4.02
Rot. Bonds4

About 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene

2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene (PubChem CID 11681892) has the molecular formula C11H14Br2O3 and a molecular weight of 354.04 g/mol. Its IUPAC name is 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene
PubChem CID11681892
Molecular FormulaC11H14Br2O3
Molecular Weight354.04 g/mol
Exact Mass351.93
IUPAC Name2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene
SMILESCOc1cc(OC)c(OC(C)C)c(Br)c1Br
InChIInChI=1S/C11H14Br2O3/c1-6(2)16-11-8(15-4)5-7(14-3)9(12)10(11)13/h5-6H,1-4H3
InChIKeyHVRNGRKHSKSNMV-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene 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

5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221
2-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)acetate
CID 7139453
CID 70998948
CID 70998948
(E)-3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 19618045
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 5398997
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
CID 15410462
4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
3-bromo-4-methoxy-2-propan-2-yloxybenzoic acid
CID 14276515
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
1-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 58223484

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene?
The IUPAC name of 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene (CID 11681892) is 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene.
What is the SMILES notation for 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene?
The canonical SMILES for 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene is COc1cc(OC)c(OC(C)C)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene?
The InChIKey is HVRNGRKHSKSNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O3/c1-6(2)16-11-8(15-4)5-7(14-3)9(12)10(11)13/h5-6H,1-4H3.
What are the key properties of 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene?
2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene has a molecular weight of 354.04 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene is sourced from PubChem (CID 11681892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).