1-(bromomethyl)-3-ethyl-2-methoxybenzene

C10H13BrO — CID 126971204

IUPAC1-(bromomethyl)-3-ethyl-2-methoxybenzene
SMILESCCc1cccc(CBr)c1OC
InChIInChI=1S/C10H13BrO/c1-3-8-5-4-6-9(7-11)10(8)12-2/h4-6H,3,7H2,1-2H3
InChIKeyKERFPIWRZLLNJF-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.15
Rot. Bonds3

About 1-(bromomethyl)-3-ethyl-2-methoxybenzene

1-(bromomethyl)-3-ethyl-2-methoxybenzene (PubChem CID 126971204) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-(bromomethyl)-3-ethyl-2-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-ethyl-2-methoxybenzene
PubChem CID126971204
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-(bromomethyl)-3-ethyl-2-methoxybenzene
SMILESCCc1cccc(CBr)c1OC
InChIInChI=1S/C10H13BrO/c1-3-8-5-4-6-9(7-11)10(8)12-2/h4-6H,3,7H2,1-2H3
InChIKeyKERFPIWRZLLNJF-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.15
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-[3-(bromomethyl)-2-methoxyphenyl]propan-1-one
CID 118843636
1,4-bis(bromomethyl)-2,3-dimethoxybenzene
CID 15760230
1-(3-ethyl-2-methoxyphenyl)ethanol
CID 84657475
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437
3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117345111
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
2-(3-ethyl-2-methoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 118330551
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
2-(3-ethyl-2-methoxyphenyl)triazole
CID 134512729
[3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane
CID 101358929
1-diphenylphosphoryl-3-ethyl-2-methoxybenzene
CID 11151842
1-cyclohexyl-3-ethyl-2-methoxybenzene
CID 70191110

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-ethyl-2-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-3-ethyl-2-methoxybenzene (CID 126971204) is 1-(bromomethyl)-3-ethyl-2-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-3-ethyl-2-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-3-ethyl-2-methoxybenzene is CCc1cccc(CBr)c1OC.
What is the InChIKey of 1-(bromomethyl)-3-ethyl-2-methoxybenzene?
The InChIKey is KERFPIWRZLLNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-3-8-5-4-6-9(7-11)10(8)12-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3-ethyl-2-methoxybenzene?
1-(bromomethyl)-3-ethyl-2-methoxybenzene has a molecular weight of 229.12 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-ethyl-2-methoxybenzene is sourced from PubChem (CID 126971204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).