2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol

C15H23BrO — CID 117482119

IUPAC2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol
SMILESCCC(CC)c1ccc(C(C)(C)CO)cc1Br
InChIInChI=1S/C15H23BrO/c1-5-11(6-2)13-8-7-12(9-14(13)16)15(3,4)10-17/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyBDLDLDSFUTWHNA-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.62
Rot. Bonds5

About 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol

2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol (PubChem CID 117482119) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol
PubChem CID117482119
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol
SMILESCCC(CC)c1ccc(C(C)(C)CO)cc1Br
InChIInChI=1S/C15H23BrO/c1-5-11(6-2)13-8-7-12(9-14(13)16)15(3,4)10-17/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyBDLDLDSFUTWHNA-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-pentan-3-ylphenyl)propan-2-ol
CID 117459199
2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
3-bromo-4-pentan-3-ylbenzoic acid
CID 83844939
2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol
CID 117432962
2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol
CID 117113672
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol
CID 117455081
2-(3,4-diethylphenyl)-2-methylpropan-1-ol
CID 117295283
3-bromo-4-pentan-3-ylbenzaldehyde
CID 83844091
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
CID 117457500
2-fluoro-1-pentan-3-yl-4-(trifluoromethyl)benzene
CID 162605330

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol (CID 117482119) is 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol is CCC(CC)c1ccc(C(C)(C)CO)cc1Br.
What is the InChIKey of 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol?
The InChIKey is BDLDLDSFUTWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-5-11(6-2)13-8-7-12(9-14(13)16)15(3,4)10-17/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol?
2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol has a molecular weight of 299.25 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 2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117482119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).