1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene

C14H20Br2O2 — CID 114013775

IUPAC1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene
SMILESCCCC(C)Oc1c(Br)cc(CBr)cc1OCC
InChIInChI=1S/C14H20Br2O2/c1-4-6-10(3)18-14-12(16)7-11(9-15)8-13(14)17-5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFCUDLXOGLSZJRY-UHFFFAOYSA-N
MW380.12 g/mol
LogP5.31
Rot. Bonds7

About 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene

1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene (PubChem CID 114013775) has the molecular formula C14H20Br2O2 and a molecular weight of 380.12 g/mol. Its IUPAC name is 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene.

Molecular Properties

Compound Name1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene
PubChem CID114013775
Molecular FormulaC14H20Br2O2
Molecular Weight380.12 g/mol
Exact Mass377.98
IUPAC Name1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene
SMILESCCCC(C)Oc1c(Br)cc(CBr)cc1OCC
InChIInChI=1S/C14H20Br2O2/c1-4-6-10(3)18-14-12(16)7-11(9-15)8-13(14)17-5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFCUDLXOGLSZJRY-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.12
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
N-[(3-bromo-5-methoxy-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107890869
4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
CID 107896132
1-bromo-5-(bromomethyl)-3-ethoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 43627287
1-[3-bromo-5-ethoxy-4-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421470
1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43627281
[3-bromo-5-ethoxy-4-(2-methoxypropoxy)phenyl]methanamine
CID 113382696
4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891685
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 60906355
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
3-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methylpyridine
CID 102881723

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene?
The IUPAC name of 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene (CID 114013775) is 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene.
What is the SMILES notation for 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene?
The canonical SMILES for 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene is CCCC(C)Oc1c(Br)cc(CBr)cc1OCC.
What is the InChIKey of 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene?
The InChIKey is FCUDLXOGLSZJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O2/c1-4-6-10(3)18-14-12(16)7-11(9-15)8-13(14)17-5-2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene?
1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene has a molecular weight of 380.12 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene is sourced from PubChem (CID 114013775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).