1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene

C10H12Br2O — CID 67352106

IUPAC1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene
SMILESCCOCc1ccc(Br)c(CBr)c1
InChIInChI=1S/C10H12Br2O/c1-2-13-7-8-3-4-10(12)9(5-8)6-11/h3-5H,2,6-7H2,1H3
InChIKeyRDNXMJRKZSWKNZ-UHFFFAOYSA-N
MW308.01 g/mol
LogP3.88
Rot. Bonds4

About 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene

1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene (PubChem CID 67352106) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene
PubChem CID67352106
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene
SMILESCCOCc1ccc(Br)c(CBr)c1
InChIInChI=1S/C10H12Br2O/c1-2-13-7-8-3-4-10(12)9(5-8)6-11/h3-5H,2,6-7H2,1H3
InChIKeyRDNXMJRKZSWKNZ-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,4-bis(1-ethoxyethoxymethyl)benzene
CID 12039851
1-bromo-4-(bromomethyl)-2-(methoxymethyl)benzene
CID 167483529
1-bromo-4-(ethoxymethyl)-2-nitrobenzene
CID 115557939
1-[3-bromo-4-(ethoxymethyl)phenyl]propan-2-one
CID 83903584
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
6-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 90992767
2-(ethoxymethyl)naphthalene
CID 11063138
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
3-bromo-4-(ethoxymethyl)phenol
CID 117219830
1-bromo-2-ethoxy-4-(2-ethoxypropoxymethyl)benzene
CID 67395717
1-bromo-2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methoxy]benzene
CID 103038485
tert-butyl N-[[4-bromo-3-(ethoxymethyl)phenyl]methylamino]carbamate
CID 171562251

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene?
The IUPAC name of 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene (CID 67352106) is 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene?
The canonical SMILES for 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene is CCOCc1ccc(Br)c(CBr)c1.
What is the InChIKey of 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene?
The InChIKey is RDNXMJRKZSWKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c1-2-13-7-8-3-4-10(12)9(5-8)6-11/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene?
1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene has a molecular weight of 308.01 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene is sourced from PubChem (CID 67352106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).