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

C10H13BrO — CID 116932379

IUPAC2-(bromomethyl)-4-ethyl-1-methoxybenzene
SMILESCCc1ccc(OC)c(CBr)c1
InChIInChI=1S/C10H13BrO/c1-3-8-4-5-10(12-2)9(6-8)7-11/h4-6H,3,7H2,1-2H3
InChIKeyWHXWUIXAJNVMAI-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.15
Rot. Bonds3

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

2-(bromomethyl)-4-ethyl-1-methoxybenzene (PubChem CID 116932379) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(bromomethyl)-4-ethyl-1-methoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-ethyl-1-methoxybenzene
PubChem CID116932379
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-(bromomethyl)-4-ethyl-1-methoxybenzene
SMILESCCc1ccc(OC)c(CBr)c1
InChIInChI=1S/C10H13BrO/c1-3-8-4-5-10(12-2)9(6-8)7-11/h4-6H,3,7H2,1-2H3
InChIKeyWHXWUIXAJNVMAI-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-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene
CID 107666228
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
[(5-ethyl-2-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228081
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-ethyl-1-methoxybenzene?
The IUPAC name of 2-(bromomethyl)-4-ethyl-1-methoxybenzene (CID 116932379) is 2-(bromomethyl)-4-ethyl-1-methoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-4-ethyl-1-methoxybenzene?
The canonical SMILES for 2-(bromomethyl)-4-ethyl-1-methoxybenzene is CCc1ccc(OC)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-ethyl-1-methoxybenzene?
The InChIKey is WHXWUIXAJNVMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-3-8-4-5-10(12-2)9(6-8)7-11/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-ethyl-1-methoxybenzene?
2-(bromomethyl)-4-ethyl-1-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 2-(bromomethyl)-4-ethyl-1-methoxybenzene is sourced from PubChem (CID 116932379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).