3-(4-bromophenyl)-4,4-dimethylpentan-1-ol

C13H19BrO — CID 115050497

IUPAC3-(4-bromophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrO/c1-13(2,3)12(8-9-15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyQCPDZLGJRSMYQC-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.96
Rot. Bonds3

About 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol

3-(4-bromophenyl)-4,4-dimethylpentan-1-ol (PubChem CID 115050497) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-4,4-dimethylpentan-1-ol
PubChem CID115050497
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name3-(4-bromophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrO/c1-13(2,3)12(8-9-15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyQCPDZLGJRSMYQC-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol
CID 83693483
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
CID 79437377
1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide
CID 66666347
2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941084
(1R,3R)-3-amino-1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 171237726
2-(4-bromophenyl)-3,3-dimethylbutanoic acid
CID 67987841
3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
CID 103820505
(1S,3S)-3-amino-1-(4-bromophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237115
1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43488631
2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol (CID 115050497) is 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol?
The InChIKey is QCPDZLGJRSMYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-13(2,3)12(8-9-15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol?
3-(4-bromophenyl)-4,4-dimethylpentan-1-ol has a molecular weight of 271.20 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 115050497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).