1-(2-bromophenoxy)-4-methoxybutan-2-ol

C11H15BrO3 — CID 117236731

IUPAC1-(2-bromophenoxy)-4-methoxybutan-2-ol
SMILESCOCCC(O)COc1ccccc1Br
InChIInChI=1S/C11H15BrO3/c1-14-7-6-9(13)8-15-11-5-3-2-4-10(11)12/h2-5,9,13H,6-8H2,1H3
InChIKeyKDQLEJQHKOVYSR-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.23
Rot. Bonds6

About 1-(2-bromophenoxy)-4-methoxybutan-2-ol

1-(2-bromophenoxy)-4-methoxybutan-2-ol (PubChem CID 117236731) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-(2-bromophenoxy)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenoxy)-4-methoxybutan-2-ol
PubChem CID117236731
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-(2-bromophenoxy)-4-methoxybutan-2-ol
SMILESCOCCC(O)COc1ccccc1Br
InChIInChI=1S/C11H15BrO3/c1-14-7-6-9(13)8-15-11-5-3-2-4-10(11)12/h2-5,9,13H,6-8H2,1H3
InChIKeyKDQLEJQHKOVYSR-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
CID 117236738
2-[(2-bromophenoxy)methyl]-4-methoxybutanoic acid
CID 117237009
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
(2S)-1-(2-bromophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7073872
1-bromo-2-(2-chloropropoxy)benzene
CID 22752746
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)-4-methoxybutan-2-ol?
The IUPAC name of 1-(2-bromophenoxy)-4-methoxybutan-2-ol (CID 117236731) is 1-(2-bromophenoxy)-4-methoxybutan-2-ol.
What is the SMILES notation for 1-(2-bromophenoxy)-4-methoxybutan-2-ol?
The canonical SMILES for 1-(2-bromophenoxy)-4-methoxybutan-2-ol is COCCC(O)COc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenoxy)-4-methoxybutan-2-ol?
The InChIKey is KDQLEJQHKOVYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-14-7-6-9(13)8-15-11-5-3-2-4-10(11)12/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 1-(2-bromophenoxy)-4-methoxybutan-2-ol?
1-(2-bromophenoxy)-4-methoxybutan-2-ol has a molecular weight of 275.14 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)-4-methoxybutan-2-ol is sourced from PubChem (CID 117236731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).