1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene

C12H17BrO3 — CID 61267808

IUPAC1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene
SMILESCCOCCOc1cc(OC)ccc1CBr
InChIInChI=1S/C12H17BrO3/c1-3-15-6-7-16-12-8-11(14-2)5-4-10(12)9-13/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeySXVPOOYTSVBGHH-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.01
Rot. Bonds7

About 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene

1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene (PubChem CID 61267808) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene
PubChem CID61267808
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene
SMILESCCOCCOc1cc(OC)ccc1CBr
InChIInChI=1S/C12H17BrO3/c1-3-15-6-7-16-12-8-11(14-2)5-4-10(12)9-13/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeySXVPOOYTSVBGHH-UHFFFAOYSA-N
XLogP3.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-(2-ethoxyethoxy)-4-methoxybenzene
CID 43457293
1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
CID 80694443
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
CID 43472455
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54958015
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
N-[[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449993
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene (CID 61267808) is 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene is CCOCCOc1cc(OC)ccc1CBr.
What is the InChIKey of 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene?
The InChIKey is SXVPOOYTSVBGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-3-15-6-7-16-12-8-11(14-2)5-4-10(12)9-13/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene?
1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene has a molecular weight of 289.17 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene is sourced from PubChem (CID 61267808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).