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

C13H19BrO — CID 62608151

IUPAC1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrO/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyVUOMUHXHKIGVME-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.31
Rot. Bonds3

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

1-(4-bromophenyl)-4,4-dimethylpentan-1-ol (PubChem CID 62608151) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
PubChem CID62608151
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrO/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyVUOMUHXHKIGVME-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
CID 107978288
2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
CID 79437377
5-hydroxy-5-[4-(1-hydroxy-4,4-dimethylpentyl)phenyl]-2,2-dimethylpentanal
CID 88581179
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol
CID 65150580
(1R,3R)-3-amino-1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 171237726
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
(1S,3S)-3-amino-1-(4-bromophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237115
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol (CID 62608151) is 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol is CC(C)(C)CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol?
The InChIKey is VUOMUHXHKIGVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol?
1-(4-bromophenyl)-4,4-dimethylpentan-1-ol has a molecular weight of 271.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 62608151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).