5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene

C11H15BrO3 — CID 43516810

IUPAC5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
SMILESCCOc1c(OC)cc(CBr)cc1OC
InChIInChI=1S/C11H15BrO3/c1-4-15-11-9(13-2)5-8(7-12)6-10(11)14-3/h5-6H,4,7H2,1-3H3
InChIKeyBGEOOGSTSFZGNP-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.00
Rot. Bonds5

About 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene

5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene (PubChem CID 43516810) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene.

Molecular Properties

Compound Name5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
PubChem CID43516810
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
SMILESCCOc1c(OC)cc(CBr)cc1OC
InChIInChI=1S/C11H15BrO3/c1-4-15-11-9(13-2)5-8(7-12)6-10(11)14-3/h5-6H,4,7H2,1-3H3
InChIKeyBGEOOGSTSFZGNP-UHFFFAOYSA-N
XLogP3.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
2-[4-(bromomethyl)-2,6-dimethoxyphenoxy]acetonitrile
CID 43516832
1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
CID 43622794
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43516566
2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine
CID 62700324
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779
4-ethoxy-N-ethyl-3,5-dimethoxyaniline
CID 23620608
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43516816
5-(bromomethyl)-1,3-dimethoxy-2-[2-(3-methylbutoxy)ethoxy]benzene
CID 61484428
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene?
The IUPAC name of 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene (CID 43516810) is 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene.
What is the SMILES notation for 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene?
The canonical SMILES for 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene is CCOc1c(OC)cc(CBr)cc1OC.
What is the InChIKey of 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene?
The InChIKey is BGEOOGSTSFZGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-4-15-11-9(13-2)5-8(7-12)6-10(11)14-3/h5-6H,4,7H2,1-3H3.
What are the key properties of 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene?
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene has a molecular weight of 275.14 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene is sourced from PubChem (CID 43516810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).