4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene

C12H17BrO2 — CID 43141726

IUPAC4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
SMILESCOc1cc(CBr)ccc1OCC(C)C
InChIInChI=1S/C12H17BrO2/c1-9(2)8-15-11-5-4-10(7-13)6-12(11)14-3/h4-6,9H,7-8H2,1-3H3
InChIKeyHAVANFQWHCQKDZ-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.62
Rot. Bonds5

About 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene

4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene (PubChem CID 43141726) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
PubChem CID43141726
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
SMILESCOc1cc(CBr)ccc1OCC(C)C
InChIInChI=1S/C12H17BrO2/c1-9(2)8-15-11-5-4-10(7-13)6-12(11)14-3/h4-6,9H,7-8H2,1-3H3
InChIKeyHAVANFQWHCQKDZ-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.62
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

4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene
CID 62103662
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene
CID 80694773
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline
CID 39422766
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
CID 39455896
[3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]azanium
CID 7479255
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene (CID 43141726) is 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene is COc1cc(CBr)ccc1OCC(C)C.
What is the InChIKey of 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene?
The InChIKey is HAVANFQWHCQKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-9(2)8-15-11-5-4-10(7-13)6-12(11)14-3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene?
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene has a molecular weight of 273.17 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene is sourced from PubChem (CID 43141726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).