4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol

C11H14BrFO2 — CID 21196162

IUPAC4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol
SMILESOCCCCOCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO2/c12-10-3-4-11(13)9(7-10)8-15-6-2-1-5-14/h3-4,7,14H,1-2,5-6,8H2
InChIKeyZWPYETGSDDWRRO-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.88
Rot. Bonds6

About 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol

4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol (PubChem CID 21196162) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol
PubChem CID21196162
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol
SMILESOCCCCOCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO2/c12-10-3-4-11(13)9(7-10)8-15-6-2-1-5-14/h3-4,7,14H,1-2,5-6,8H2
InChIKeyZWPYETGSDDWRRO-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Bromobenzyl alcohol
CID 85141
(2-Bromo-4-fluorophenyl)methanol
CID 2773347
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1-Bromo-4-(ethoxymethyl)benzene
CID 598187
(4-Bromo-2-fluorophenyl)methanol
CID 2734027
1-Bromo-4-fluoro-2-(methoxymethyl)benzene
CID 2769414
2-Bromo-5-fluorobenzyl alcohol
CID 2773349
3-Bromo-2-fluorobenzyl Alcohol
CID 26985646
2-Bromo-6-fluorobenzyl alcohol
CID 44181801
1-Bromo-3-((propan-2-yloxy)methyl)benzene
CID 57573841

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol (CID 21196162) is 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol is OCCCCOCc1cc(Br)ccc1F.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol?
The InChIKey is ZWPYETGSDDWRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c12-10-3-4-11(13)9(7-10)8-15-6-2-1-5-14/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol?
4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol has a molecular weight of 277.13 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)methoxy]butan-1-ol is sourced from PubChem (CID 21196162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).