1-(3-bromophenyl)-4-methylpentan-1-ol

C12H17BrO — CID 62608745

IUPAC1-(3-bromophenyl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrO/c1-9(2)6-7-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,6-7H2,1-2H3
InChIKeyVERUENJPKLDCKE-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.92
Rot. Bonds4

About 1-(3-bromophenyl)-4-methylpentan-1-ol

1-(3-bromophenyl)-4-methylpentan-1-ol (PubChem CID 62608745) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-methylpentan-1-ol
PubChem CID62608745
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name1-(3-bromophenyl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrO/c1-9(2)6-7-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,6-7H2,1-2H3
InChIKeyVERUENJPKLDCKE-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol
CID 79490998
1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol
CID 143647576
1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
CID 103191448
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol
CID 61477128

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-4-methylpentan-1-ol (CID 62608745) is 1-(3-bromophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-4-methylpentan-1-ol is CC(C)CCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-methylpentan-1-ol?
The InChIKey is VERUENJPKLDCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-9(2)6-7-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,6-7H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-4-methylpentan-1-ol?
1-(3-bromophenyl)-4-methylpentan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 62608745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).