1-bromo-2-(methoxymethoxy)benzene;ethane

C10H15BrO2 — CID 91232598

IUPAC1-bromo-2-(methoxymethoxy)benzene;ethane
SMILESCC.COCOc1ccccc1Br
InChIInChI=1S/C8H9BrO2.C2H6/c1-10-6-11-8-5-3-2-4-7(8)9;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyPOAANOSJWZGFTD-UHFFFAOYSA-N
MW247.13 g/mol
LogP3.46
Rot. Bonds3

About 1-bromo-2-(methoxymethoxy)benzene;ethane

1-bromo-2-(methoxymethoxy)benzene;ethane (PubChem CID 91232598) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is 1-bromo-2-(methoxymethoxy)benzene;ethane.

Molecular Properties

Compound Name1-bromo-2-(methoxymethoxy)benzene;ethane
PubChem CID91232598
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name1-bromo-2-(methoxymethoxy)benzene;ethane
SMILESCC.COCOc1ccccc1Br
InChIInChI=1S/C8H9BrO2.C2H6/c1-10-6-11-8-5-3-2-4-7(8)9;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyPOAANOSJWZGFTD-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
tris[2-(methoxymethoxy)phenyl]bismuthane
CID 10579730
1-bromo-2-methoxybenzene;ethane
CID 91096433
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene
CID 171383285
1-bromo-2-(butoxymethoxy)benzene
CID 15093582
(2-bromophenoxy)methanamine
CID 57278354
1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene
CID 171383282
2-bromobenzene-1,3-diol;2-bromo-1,3-bis(methoxymethoxy)benzene;methane
CID 161492235
1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
CID 65364520
3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine
CID 79018649
[2-(methoxymethoxy)phenyl]methanol
CID 10920904

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(methoxymethoxy)benzene;ethane?
The IUPAC name of 1-bromo-2-(methoxymethoxy)benzene;ethane (CID 91232598) is 1-bromo-2-(methoxymethoxy)benzene;ethane.
What is the SMILES notation for 1-bromo-2-(methoxymethoxy)benzene;ethane?
The canonical SMILES for 1-bromo-2-(methoxymethoxy)benzene;ethane is CC.COCOc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(methoxymethoxy)benzene;ethane?
The InChIKey is POAANOSJWZGFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2.C2H6/c1-10-6-11-8-5-3-2-4-7(8)9;1-2/h2-5H,6H2,1H3;1-2H3.
What are the key properties of 1-bromo-2-(methoxymethoxy)benzene;ethane?
1-bromo-2-(methoxymethoxy)benzene;ethane has a molecular weight of 247.13 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(methoxymethoxy)benzene;ethane is sourced from PubChem (CID 91232598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).