1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol

C17H18BrFO — CID 105088452

IUPAC1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CCC(O)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C17H18BrFO/c1-12-3-2-4-13(9-12)5-7-16(20)11-14-10-15(19)6-8-17(14)18/h2-4,6,8-10,16,20H,5,7,11H2,1H3
InChIKeySQRIPQHJCRMFCK-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.43
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol

1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol (PubChem CID 105088452) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
PubChem CID105088452
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CCC(O)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C17H18BrFO/c1-12-3-2-4-13(9-12)5-7-16(20)11-14-10-15(19)6-8-17(14)18/h2-4,6,8-10,16,20H,5,7,11H2,1H3
InChIKeySQRIPQHJCRMFCK-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105297114
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
CID 62619910
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105093937
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
1-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)propan-2-ol
CID 65325440

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol (CID 105088452) is 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol is Cc1cccc(CCC(O)Cc2cc(F)ccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol?
The InChIKey is SQRIPQHJCRMFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-12-3-2-4-13(9-12)5-7-16(20)11-14-10-15(19)6-8-17(14)18/h2-4,6,8-10,16,20H,5,7,11H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol?
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol has a molecular weight of 337.23 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 105088452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).