1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol

C17H19BrO — CID 63083837

IUPAC1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
SMILESCC(C)(c1ccccc1)C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H19BrO/c1-17(2,14-6-4-3-5-7-14)16(19)12-13-8-10-15(18)11-9-13/h3-11,16,19H,12H2,1-2H3
InChIKeyXIYYDDJEJNYXLP-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol

1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol (PubChem CID 63083837) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
PubChem CID63083837
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
SMILESCC(C)(c1ccccc1)C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H19BrO/c1-17(2,14-6-4-3-5-7-14)16(19)12-13-8-10-15(18)11-9-13/h3-11,16,19H,12H2,1-2H3
InChIKeyXIYYDDJEJNYXLP-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-3-methyl-3-phenylbutan-2-ol
CID 63085891
1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769134
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
3-(aminomethyl)-4-(4-bromophenyl)-3-phenylbutan-2-ol
CID 66431961
1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
CID 63084667
3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 64769125
1-(furan-2-yl)-3-methyl-3-phenylbutan-2-ol
CID 83172363
1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
CID 65325300
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol (CID 63083837) is 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol is CC(C)(c1ccccc1)C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol?
The InChIKey is XIYYDDJEJNYXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-17(2,14-6-4-3-5-7-14)16(19)12-13-8-10-15(18)11-9-13/h3-11,16,19H,12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol?
1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol has a molecular weight of 319.24 g/mol, XLogP of 4.33, 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-methyl-3-phenylbutan-2-ol is sourced from PubChem (CID 63083837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).