1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol

C13H19BrO — CID 115789330

IUPAC1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cccc(Br)c1C
InChIInChI=1S/C13H19BrO/c1-4-9(2)8-13(15)11-6-5-7-12(14)10(11)3/h5-7,9,13,15H,4,8H2,1-3H3
InChIKeyAYNZOWHITNNDED-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.23
Rot. Bonds4

About 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol

1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol (PubChem CID 115789330) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
PubChem CID115789330
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cccc(Br)c1C
InChIInChI=1S/C13H19BrO/c1-4-9(2)8-13(15)11-6-5-7-12(14)10(11)3/h5-7,9,13,15H,4,8H2,1-3H3
InChIKeyAYNZOWHITNNDED-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylphenyl)-3-ethylheptan-1-ol
CID 114981334
1-(3-bromo-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821876
1-(3-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828367
1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol
CID 114875950
1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
CID 114875970
1-(3-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
1-bromo-3-(1-bromopropyl)-2-methylbenzene
CID 130139953
1-(2-iodophenyl)-3-methylpentan-1-ol
CID 115789355
1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238
1-(3-bromo-2-methylphenyl)pent-4-yn-1-ol
CID 115799431
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol (CID 115789330) is 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol is CCC(C)CC(O)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol?
The InChIKey is AYNZOWHITNNDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-4-9(2)8-13(15)11-6-5-7-12(14)10(11)3/h5-7,9,13,15H,4,8H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol?
1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol has a molecular weight of 271.20 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol is sourced from PubChem (CID 115789330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).