1-(3,5-dibromophenyl)butan-1-ol

C10H12Br2O — CID 107978200

IUPAC1-(3,5-dibromophenyl)butan-1-ol
SMILESCCCC(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H12Br2O/c1-2-3-10(13)7-4-8(11)6-9(12)5-7/h4-6,10,13H,2-3H2,1H3
InChIKeyLLLAYJWYWHGMGF-UHFFFAOYSA-N
MW308.01 g/mol
LogP4.05
Rot. Bonds3

About 1-(3,5-dibromophenyl)butan-1-ol

1-(3,5-dibromophenyl)butan-1-ol (PubChem CID 107978200) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)butan-1-ol
PubChem CID107978200
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name1-(3,5-dibromophenyl)butan-1-ol
SMILESCCCC(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H12Br2O/c1-2-3-10(13)7-4-8(11)6-9(12)5-7/h4-6,10,13H,2-3H2,1H3
InChIKeyLLLAYJWYWHGMGF-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
CID 107978288
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
CID 97293385
1-(3-bromo-5-methylphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803665
1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
CID 107978286
1-(3,5-dibromophenyl)-2-ethylbutan-1-ol
CID 107978546
1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol
CID 107978543
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
1-(6-bromo-3-pyridinyl)butan-1-ol
CID 87126777

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)butan-1-ol?
The IUPAC name of 1-(3,5-dibromophenyl)butan-1-ol (CID 107978200) is 1-(3,5-dibromophenyl)butan-1-ol.
What is the SMILES notation for 1-(3,5-dibromophenyl)butan-1-ol?
The canonical SMILES for 1-(3,5-dibromophenyl)butan-1-ol is CCCC(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)butan-1-ol?
The InChIKey is LLLAYJWYWHGMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c1-2-3-10(13)7-4-8(11)6-9(12)5-7/h4-6,10,13H,2-3H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)butan-1-ol?
1-(3,5-dibromophenyl)butan-1-ol has a molecular weight of 308.01 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)butan-1-ol is sourced from PubChem (CID 107978200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).