1-(2-bromoethoxymethoxy)-4-methylbenzene

C10H13BrO2 — CID 165356249

IUPAC1-(2-bromoethoxymethoxy)-4-methylbenzene
SMILESCc1ccc(OCOCCBr)cc1
InChIInChI=1S/C10H13BrO2/c1-9-2-4-10(5-3-9)13-8-12-7-6-11/h2-5H,6-8H2,1H3
InChIKeyPTEIUDBHQBNDBS-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-bromoethoxymethoxy)-4-methylbenzene

1-(2-bromoethoxymethoxy)-4-methylbenzene (PubChem CID 165356249) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(2-bromoethoxymethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-bromoethoxymethoxy)-4-methylbenzene
PubChem CID165356249
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(2-bromoethoxymethoxy)-4-methylbenzene
SMILESCc1ccc(OCOCCBr)cc1
InChIInChI=1S/C10H13BrO2/c1-9-2-4-10(5-3-9)13-8-12-7-6-11/h2-5H,6-8H2,1H3
InChIKeyPTEIUDBHQBNDBS-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
1-(2-bromoethoxymethoxy)-4-butan-2-ylbenzene
CID 58559906
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 146502116
1-methyl-4-(phosphorosooxymethoxy)benzene
CID 174811270
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-(bromomethyl)-4-[2-(4-methylphenyl)ethoxy]benzene
CID 59435282
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
(4-methylphenoxy)methyl dihydrogen phosphite
CID 143072711

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxymethoxy)-4-methylbenzene?
The IUPAC name of 1-(2-bromoethoxymethoxy)-4-methylbenzene (CID 165356249) is 1-(2-bromoethoxymethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(2-bromoethoxymethoxy)-4-methylbenzene?
The canonical SMILES for 1-(2-bromoethoxymethoxy)-4-methylbenzene is Cc1ccc(OCOCCBr)cc1.
What is the InChIKey of 1-(2-bromoethoxymethoxy)-4-methylbenzene?
The InChIKey is PTEIUDBHQBNDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-9-2-4-10(5-3-9)13-8-12-7-6-11/h2-5H,6-8H2,1H3.
What are the key properties of 1-(2-bromoethoxymethoxy)-4-methylbenzene?
1-(2-bromoethoxymethoxy)-4-methylbenzene has a molecular weight of 245.12 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxymethoxy)-4-methylbenzene is sourced from PubChem (CID 165356249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).