1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol

C17H18BrFO — CID 64769134

IUPAC1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrFO/c1-17(2,13-5-9-15(19)10-6-13)16(20)11-12-3-7-14(18)8-4-12/h3-10,16,20H,11H2,1-2H3
InChIKeyMEEPKAKMFCABIP-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.47
Rot. Bonds4

About 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol

1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 64769134) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
PubChem CID64769134
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrFO/c1-17(2,13-5-9-15(19)10-6-13)16(20)11-12-3-7-14(18)8-4-12/h3-10,16,20H,11H2,1-2H3
InChIKeyMEEPKAKMFCABIP-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 64769125
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
CID 63083837
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769319
2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol
CID 64768744
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981
1-(4-ethylphenyl)-3-methyl-3-phenylbutan-2-ol
CID 63085891
3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79824785
7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol
CID 115516102
2-(4-fluorophenyl)-2-methylhept-6-yn-3-ol
CID 64769916

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (CID 64769134) is 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is CC(C)(c1ccc(F)cc1)C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is MEEPKAKMFCABIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-17(2,13-5-9-15(19)10-6-13)16(20)11-12-3-7-14(18)8-4-12/h3-10,16,20H,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol has a molecular weight of 337.23 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 64769134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).