1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene

C12H15BrO2 — CID 169228109

IUPAC1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
SMILESCOCOCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H15BrO2/c1-14-9-15-8-12(5-6-12)10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9H2,1H3
InChIKeyUXTCVDSHLUKAEW-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.10
Rot. Bonds5

About 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene

1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene (PubChem CID 169228109) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
PubChem CID169228109
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
SMILESCOCOCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H15BrO2/c1-14-9-15-8-12(5-6-12)10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9H2,1H3
InChIKeyUXTCVDSHLUKAEW-UHFFFAOYSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene?
The IUPAC name of 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene (CID 169228109) is 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene?
The canonical SMILES for 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene is COCOCC1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene?
The InChIKey is UXTCVDSHLUKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-14-9-15-8-12(5-6-12)10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9H2,1H3.
What are the key properties of 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene?
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene has a molecular weight of 271.15 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene is sourced from PubChem (CID 169228109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).