1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

C17H18BrFO2 — CID 114833364

IUPAC1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(Br)cc1CC(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C17H18BrFO2/c1-17(20,10-12-4-3-5-15(19)8-12)11-13-9-14(18)6-7-16(13)21-2/h3-9,20H,10-11H2,1-2H3
InChIKeyJMOQGOPAQCURAY-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.13
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114833364) has the molecular formula C17H18BrFO2 and a molecular weight of 353.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114833364
Molecular FormulaC17H18BrFO2
Molecular Weight353.23 g/mol
Exact Mass352.05
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(Br)cc1CC(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C17H18BrFO2/c1-17(20,10-12-4-3-5-15(19)8-12)11-13-9-14(18)6-7-16(13)21-2/h3-9,20H,10-11H2,1-2H3
InChIKeyJMOQGOPAQCURAY-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833275
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059989
2-benzyl-5-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4,4-dimethylpentanoic acid
CID 151842062
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43217110
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833403
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (CID 114833364) is 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is COc1ccc(Br)cc1CC(C)(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is JMOQGOPAQCURAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO2/c1-17(20,10-12-4-3-5-15(19)8-12)11-13-9-14(18)6-7-16(13)21-2/h3-9,20H,10-11H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 353.23 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114833364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).