1-(4-bromophenyl)-1,2,2-triphenylethanol

C26H21BrO — CID 70944611

IUPAC1-(4-bromophenyl)-1,2,2-triphenylethanol
SMILESOC(c1ccccc1)(c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21BrO/c27-24-18-16-23(17-19-24)26(28,22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25,28H
InChIKeyPPRQLSUUVLNCJT-UHFFFAOYSA-N
MW429.36 g/mol
LogP6.52
Rot. Bonds5

About 1-(4-bromophenyl)-1,2,2-triphenylethanol

1-(4-bromophenyl)-1,2,2-triphenylethanol (PubChem CID 70944611) has the molecular formula C26H21BrO and a molecular weight of 429.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1,2,2-triphenylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1,2,2-triphenylethanol
PubChem CID70944611
Molecular FormulaC26H21BrO
Molecular Weight429.36 g/mol
Exact Mass428.08
IUPAC Name1-(4-bromophenyl)-1,2,2-triphenylethanol
SMILESOC(c1ccccc1)(c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21BrO/c27-24-18-16-23(17-19-24)26(28,22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25,28H
InChIKeyPPRQLSUUVLNCJT-UHFFFAOYSA-N
XLogP6.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.36
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzopinacol
CID 94766
1,4-Butanediol, 1,1,4,4-tetraphenyl-
CID 44541
p-Bromobenzhydryl alcohol
CID 98221
Bromadiolone metabolite Unk 1
CID 139595396
Bromadiolone metabolite,M9
CID 139595937
Bis(4-bromophenyl)(phenyl)methanol
CID 4152948
Alpha,alpha-diphenyl-4-biphenylmethanol
CID 231630
2-(4-Bromophenyl)propan-2-ol
CID 12681920
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
1,2,3,4-Tetraphenylbutane-2,3-diol
CID 344369
4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol
CID 91987

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1,2,2-triphenylethanol?
The IUPAC name of 1-(4-bromophenyl)-1,2,2-triphenylethanol (CID 70944611) is 1-(4-bromophenyl)-1,2,2-triphenylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1,2,2-triphenylethanol?
The canonical SMILES for 1-(4-bromophenyl)-1,2,2-triphenylethanol is OC(c1ccccc1)(c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-1,2,2-triphenylethanol?
The InChIKey is PPRQLSUUVLNCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrO/c27-24-18-16-23(17-19-24)26(28,22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25,28H.
What are the key properties of 1-(4-bromophenyl)-1,2,2-triphenylethanol?
1-(4-bromophenyl)-1,2,2-triphenylethanol has a molecular weight of 429.36 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1,2,2-triphenylethanol is sourced from PubChem (CID 70944611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).