2-(4-bromophenyl)-5,5-dimethylhexan-1-ol

C14H21BrO — CID 79437377

IUPAC2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCC(CO)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrO/c1-14(2,3)9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12,16H,8-10H2,1-3H3
InChIKeyRWLXFIARMMCJKU-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.35
Rot. Bonds4

About 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol

2-(4-bromophenyl)-5,5-dimethylhexan-1-ol (PubChem CID 79437377) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
PubChem CID79437377
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCC(CO)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrO/c1-14(2,3)9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12,16H,8-10H2,1-3H3
InChIKeyRWLXFIARMMCJKU-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
CID 79436768
5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280
1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-(4-bromophenyl)-6-methoxyhexan-1-ol
CID 104650630
2-(4-bromophenyl)-3-sulfanylpropan-1-ol
CID 117245035
3-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 115050497
[2-(4-bromophenyl)-3-hydroxypropyl] acetate
CID 66718437
1-(1-chloro-5,5-dimethylhexan-2-yl)-4-methylbenzene
CID 79435760
1-(4-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62606824
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
CID 107978288

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol (CID 79437377) is 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol is CC(C)(C)CCC(CO)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol?
The InChIKey is RWLXFIARMMCJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-14(2,3)9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12,16H,8-10H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol?
2-(4-bromophenyl)-5,5-dimethylhexan-1-ol has a molecular weight of 285.22 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 79437377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).