5-(3-bromophenyl)-4-methylpentan-2-ol

C12H17BrO — CID 64719451

IUPAC5-(3-bromophenyl)-4-methylpentan-2-ol
SMILESCC(O)CC(C)Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrO/c1-9(6-10(2)14)7-11-4-3-5-12(13)8-11/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyNLTSGOQJICMISY-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.40
Rot. Bonds4

About 5-(3-bromophenyl)-4-methylpentan-2-ol

5-(3-bromophenyl)-4-methylpentan-2-ol (PubChem CID 64719451) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-(3-bromophenyl)-4-methylpentan-2-ol
PubChem CID64719451
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name5-(3-bromophenyl)-4-methylpentan-2-ol
SMILESCC(O)CC(C)Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrO/c1-9(6-10(2)14)7-11-4-3-5-12(13)8-11/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyNLTSGOQJICMISY-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3-bromophenyl)-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
4-(3-bromophenyl)-3-methylbutanoic acid
CID 67126232
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
4-(3-bromophenyl)-3-methylbutanethioamide
CID 83924016
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
1-(3-bromophenyl)but-3-yn-2-ol
CID 115811161
2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol
CID 106848125
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 66478373
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4-methylpentan-2-ol?
The IUPAC name of 5-(3-bromophenyl)-4-methylpentan-2-ol (CID 64719451) is 5-(3-bromophenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 5-(3-bromophenyl)-4-methylpentan-2-ol?
The canonical SMILES for 5-(3-bromophenyl)-4-methylpentan-2-ol is CC(O)CC(C)Cc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-4-methylpentan-2-ol?
The InChIKey is NLTSGOQJICMISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-9(6-10(2)14)7-11-4-3-5-12(13)8-11/h3-5,8-10,14H,6-7H2,1-2H3.
What are the key properties of 5-(3-bromophenyl)-4-methylpentan-2-ol?
5-(3-bromophenyl)-4-methylpentan-2-ol has a molecular weight of 257.17 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 64719451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).