2-[(3-bromophenoxy)methyl]butan-1-ol

C11H15BrO2 — CID 117241907

IUPAC2-[(3-bromophenoxy)methyl]butan-1-ol
SMILESCCC(CO)COc1cccc(Br)c1
InChIInChI=1S/C11H15BrO2/c1-2-9(7-13)8-14-11-5-3-4-10(12)6-11/h3-6,9,13H,2,7-8H2,1H3
InChIKeyLUVUPMGODCNOCH-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.85
Rot. Bonds5

About 2-[(3-bromophenoxy)methyl]butan-1-ol

2-[(3-bromophenoxy)methyl]butan-1-ol (PubChem CID 117241907) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]butan-1-ol
PubChem CID117241907
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-[(3-bromophenoxy)methyl]butan-1-ol
SMILESCCC(CO)COc1cccc(Br)c1
InChIInChI=1S/C11H15BrO2/c1-2-9(7-13)8-14-11-5-3-4-10(12)6-11/h3-6,9,13H,2,7-8H2,1H3
InChIKeyLUVUPMGODCNOCH-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-[(2R)-1-hydroxybutan-2-yl]azanium
CID 7832296
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
1-(3-bromophenoxy)butan-2-yl carbonochloridate
CID 141013617
1-bromo-3-[(2R)-2-methoxypropoxy]benzene
CID 130454030
1-bromo-3-ethoxybenzene;ethane
CID 143900364
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
1-bromo-3-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611004
2-[(3-methoxyphenoxy)methyl]pentan-1-ol
CID 117241933
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]butan-1-ol?
The IUPAC name of 2-[(3-bromophenoxy)methyl]butan-1-ol (CID 117241907) is 2-[(3-bromophenoxy)methyl]butan-1-ol.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]butan-1-ol?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]butan-1-ol is CCC(CO)COc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]butan-1-ol?
The InChIKey is LUVUPMGODCNOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-2-9(7-13)8-14-11-5-3-4-10(12)6-11/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 2-[(3-bromophenoxy)methyl]butan-1-ol?
2-[(3-bromophenoxy)methyl]butan-1-ol has a molecular weight of 259.14 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenoxy)methyl]butan-1-ol is sourced from PubChem (CID 117241907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).