1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol

C13H18Br2O — CID 107978288

IUPAC1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H18Br2O/c1-13(2,3)5-4-12(16)9-6-10(14)8-11(15)7-9/h6-8,12,16H,4-5H2,1-3H3
InChIKeyDUXZFRWXYAHMDV-UHFFFAOYSA-N
MW350.09 g/mol
LogP5.07
Rot. Bonds3

About 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol

1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol (PubChem CID 107978288) has the molecular formula C13H18Br2O and a molecular weight of 350.09 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
PubChem CID107978288
Molecular FormulaC13H18Br2O
Molecular Weight350.09 g/mol
Exact Mass347.97
IUPAC Name1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H18Br2O/c1-13(2,3)5-4-12(16)9-6-10(14)8-11(15)7-9/h6-8,12,16H,4-5H2,1-3H3
InChIKeyDUXZFRWXYAHMDV-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.09
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-(3-chloro-5-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114454141
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol
CID 65150580
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
CID 103028415
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
CID 107978286
5-hydroxy-5-[4-(1-hydroxy-4,4-dimethylpentyl)phenyl]-2,2-dimethylpentanal
CID 88581179
1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol
CID 107978543
1-(3-bromo-5-methylphenyl)oct-7-en-1-ol
CID 107012214
2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
CID 79437377

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol (CID 107978288) is 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol is CC(C)(C)CCC(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol?
The InChIKey is DUXZFRWXYAHMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2O/c1-13(2,3)5-4-12(16)9-6-10(14)8-11(15)7-9/h6-8,12,16H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol?
1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol has a molecular weight of 350.09 g/mol, XLogP of 5.07, 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)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 107978288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).