[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol

C11H12BrFO2 — CID 163529543

IUPAC[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol
SMILESCOC(O)C1(c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H12BrFO2/c1-15-10(14)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3
InChIKeyDRSSKXDMVUWMOA-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.58
Rot. Bonds3

About [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol

[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol (PubChem CID 163529543) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol.

Molecular Properties

Compound Name[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol
PubChem CID163529543
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol
SMILESCOC(O)C1(c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H12BrFO2/c1-15-10(14)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3
InChIKeyDRSSKXDMVUWMOA-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol?
The IUPAC name of [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol (CID 163529543) is [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol.
What is the SMILES notation for [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol?
The canonical SMILES for [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol is COC(O)C1(c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol?
The InChIKey is DRSSKXDMVUWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-15-10(14)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3.
What are the key properties of [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol?
[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol has a molecular weight of 275.12 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methoxymethanol is sourced from PubChem (CID 163529543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).