2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene

C16H25BrO4 — CID 142699776

IUPAC2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene
SMILESCOC(OC(C)C)c1ccc(C(OC)OC(C)C)c(Br)c1
InChIInChI=1S/C16H25BrO4/c1-10(2)20-15(18-5)12-7-8-13(14(17)9-12)16(19-6)21-11(3)4/h7-11,15-16H,1-6H3
InChIKeyVZGHRHSIEDZCKU-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.59
Rot. Bonds8

About 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene

2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene (PubChem CID 142699776) has the molecular formula C16H25BrO4 and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene.

Molecular Properties

Compound Name2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene
PubChem CID142699776
Molecular FormulaC16H25BrO4
Molecular Weight361.28 g/mol
Exact Mass360.09
IUPAC Name2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene
SMILESCOC(OC(C)C)c1ccc(C(OC)OC(C)C)c(Br)c1
InChIInChI=1S/C16H25BrO4/c1-10(2)20-15(18-5)12-7-8-13(14(17)9-12)16(19-6)21-11(3)4/h7-11,15-16H,1-6H3
InChIKeyVZGHRHSIEDZCKU-UHFFFAOYSA-N
XLogP4.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene 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

2,4-dibromo-1-(dimethoxymethyl)benzene
CID 72706043
2-bromo-1-chloro-4-(dimethoxymethyl)benzene
CID 15300643
2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
CID 169138139
ethyl 2-(3-bromo-4-propan-2-ylphenyl)-2-hydroxyacetate
CID 117485139
2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
CID 105425131
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
2-bromo-1-[bromo-(3-bromo-4-methylphenyl)methyl]-4-methoxybenzene
CID 81476572
1-bromo-4-chloro-2-(dimethoxymethyl)benzene
CID 66704681
2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
CID 130848311
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
methyl 2-(3-bromo-4-propan-2-yloxyphenyl)propanoate
CID 105426774
3-[2-bromo-4-(dimethoxymethyl)phenyl]azetidine-3-carbonitrile
CID 58079763

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene?
The IUPAC name of 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene (CID 142699776) is 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene.
What is the SMILES notation for 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene?
The canonical SMILES for 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene is COC(OC(C)C)c1ccc(C(OC)OC(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene?
The InChIKey is VZGHRHSIEDZCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrO4/c1-10(2)20-15(18-5)12-7-8-13(14(17)9-12)16(19-6)21-11(3)4/h7-11,15-16H,1-6H3.
What are the key properties of 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene?
2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene has a molecular weight of 361.28 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene is sourced from PubChem (CID 142699776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).