2-(4-bromo-2-chlorophenyl)pentan-3-ol

C11H14BrClO — CID 82781712

IUPAC2-(4-bromo-2-chlorophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClO/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13/h4-7,11,14H,3H2,1-2H3
InChIKeyKODQXVLPDXSIBS-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.98
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)pentan-3-ol

2-(4-bromo-2-chlorophenyl)pentan-3-ol (PubChem CID 82781712) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)pentan-3-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)pentan-3-ol
PubChem CID82781712
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name2-(4-bromo-2-chlorophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClO/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13/h4-7,11,14H,3H2,1-2H3
InChIKeyKODQXVLPDXSIBS-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
3-(4-bromo-2-chlorophenyl)-2-methylbutanoic acid
CID 130917890
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
1-(4-bromo-2-chlorophenyl)-3-sulfanylpropane-1,2-diol
CID 170820951
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
CID 65185943
4-bromo-1-[(4-butan-2-ylphenyl)-chloromethyl]-2-chlorobenzene
CID 63430121
2-(3-bromophenyl)pentan-3-ol
CID 79298699
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)pentan-3-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)pentan-3-ol (CID 82781712) is 2-(4-bromo-2-chlorophenyl)pentan-3-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)pentan-3-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)pentan-3-ol is CCC(O)C(C)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)pentan-3-ol?
The InChIKey is KODQXVLPDXSIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13/h4-7,11,14H,3H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)pentan-3-ol?
2-(4-bromo-2-chlorophenyl)pentan-3-ol has a molecular weight of 277.59 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)pentan-3-ol is sourced from PubChem (CID 82781712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).