1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol

C14H21BrO — CID 115788916

IUPAC1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(Br)cc1C
InChIInChI=1S/C14H21BrO/c1-4-5-10(2)8-14(16)13-7-6-12(15)9-11(13)3/h6-7,9-10,14,16H,4-5,8H2,1-3H3
InChIKeyJVIYYNPGOOGMPK-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.62
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol

1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol (PubChem CID 115788916) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol
PubChem CID115788916
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(Br)cc1C
InChIInChI=1S/C14H21BrO/c1-4-5-10(2)8-14(16)13-7-6-12(15)9-11(13)3/h6-7,9-10,14,16H,4-5,8H2,1-3H3
InChIKeyJVIYYNPGOOGMPK-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238
1-(2-chloro-4-methylphenyl)-3-methylhexan-1-ol
CID 106859160
1-(4-bromo-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980728
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
1-(4-bromo-2-methylphenyl)pent-4-yn-1-ol
CID 115799337
1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
CID 115788963
1-(4-bromo-2-methylphenyl)-4-methoxybutan-1-ol
CID 115839496
1-(4-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 114013519
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
CID 107945526
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol
CID 114875950

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol (CID 115788916) is 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol is CCCC(C)CC(O)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol?
The InChIKey is JVIYYNPGOOGMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-4-5-10(2)8-14(16)13-7-6-12(15)9-11(13)3/h6-7,9-10,14,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol?
1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol has a molecular weight of 285.23 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol is sourced from PubChem (CID 115788916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).