1-(4-bromo-2-chlorophenoxy)butan-2-ol

C10H12BrClO2 — CID 60878201

IUPAC1-(4-bromo-2-chlorophenoxy)butan-2-ol
SMILESCCC(O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClO2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5,8,13H,2,6H2,1H3
InChIKeyAOMGBOFRILIGHN-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-bromo-2-chlorophenoxy)butan-2-ol

1-(4-bromo-2-chlorophenoxy)butan-2-ol (PubChem CID 60878201) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenoxy)butan-2-ol
PubChem CID60878201
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name1-(4-bromo-2-chlorophenoxy)butan-2-ol
SMILESCCC(O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClO2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5,8,13H,2,6H2,1H3
InChIKeyAOMGBOFRILIGHN-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 62269183
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
CID 60725947
1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 113389754
4-bromo-2-chloro-1-pentan-3-yloxybenzene
CID 68867581
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 16877055
(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 42588460
2-[(4-bromo-2-chlorophenoxy)methyl]pentane-1-sulfonyl chloride
CID 65013258

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenoxy)butan-2-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenoxy)butan-2-ol (CID 60878201) is 1-(4-bromo-2-chlorophenoxy)butan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenoxy)butan-2-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenoxy)butan-2-ol is CCC(O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenoxy)butan-2-ol?
The InChIKey is AOMGBOFRILIGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5,8,13H,2,6H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenoxy)butan-2-ol?
1-(4-bromo-2-chlorophenoxy)butan-2-ol has a molecular weight of 279.56 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenoxy)butan-2-ol is sourced from PubChem (CID 60878201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).