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

C11H15BrO3 — CID 117236778

IUPAC1-(4-bromophenoxy)-4-methoxybutan-2-ol
SMILESCOCCC(O)COc1ccc(Br)cc1
InChIInChI=1S/C11H15BrO3/c1-14-7-6-10(13)8-15-11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3
InChIKeyJICNCYVUBHSKHA-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.23
Rot. Bonds6

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

1-(4-bromophenoxy)-4-methoxybutan-2-ol (PubChem CID 117236778) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-4-methoxybutan-2-ol
PubChem CID117236778
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-(4-bromophenoxy)-4-methoxybutan-2-ol
SMILESCOCCC(O)COc1ccc(Br)cc1
InChIInChI=1S/C11H15BrO3/c1-14-7-6-10(13)8-15-11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3
InChIKeyJICNCYVUBHSKHA-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

1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(2-bromophenoxy)-4-methoxybutan-2-ol
CID 117236731
1-bromo-4-(2,3-dimethoxypropoxy)benzene
CID 67740400
3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
4-(4-bromophenoxy)butan-2-ol
CID 112686550
4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
CID 103877004
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-4-methoxybutan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-4-methoxybutan-2-ol (CID 117236778) is 1-(4-bromophenoxy)-4-methoxybutan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-4-methoxybutan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-4-methoxybutan-2-ol is COCCC(O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-4-methoxybutan-2-ol?
The InChIKey is JICNCYVUBHSKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-14-7-6-10(13)8-15-11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3.
What are the key properties of 1-(4-bromophenoxy)-4-methoxybutan-2-ol?
1-(4-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-(4-bromophenoxy)-4-methoxybutan-2-ol is sourced from PubChem (CID 117236778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).