(4-bromophenyl)-bis(4-chlorophenyl)methanol

C19H13BrCl2O — CID 2756914

IUPAC(4-bromophenyl)-bis(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H13BrCl2O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
InChIKeyHWPQKVMCAWVBDO-UHFFFAOYSA-N
MW408.12 g/mol
LogP6.04
Rot. Bonds3

About (4-bromophenyl)-bis(4-chlorophenyl)methanol

(4-bromophenyl)-bis(4-chlorophenyl)methanol (PubChem CID 2756914) has the molecular formula C19H13BrCl2O and a molecular weight of 408.12 g/mol. Its IUPAC name is (4-bromophenyl)-bis(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-bis(4-chlorophenyl)methanol
PubChem CID2756914
Molecular FormulaC19H13BrCl2O
Molecular Weight408.12 g/mol
Exact Mass405.95
IUPAC Name(4-bromophenyl)-bis(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H13BrCl2O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
InChIKeyHWPQKVMCAWVBDO-UHFFFAOYSA-N
XLogP6.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.12
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-chlorobenzene
CID 7806
(4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol
CID 162718798
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide
CID 170437238
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane
CID 69444864
1-bromo-4-chlorobenzene;[2-(4-chlorophenyl)-2-hydroxy-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
CID 70289568
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
4-[bis(4-aminophenyl)-(4-chlorophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-chlorophenyl)methyl]-4-bromobenzene;4-[(4-chlorophenyl)-bis(4-hydroxyphenyl)methyl]phenol;1-chloro-4-[tris(4-iodophenyl)methyl]benzene
CID 159702219

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-bis(4-chlorophenyl)methanol?
The IUPAC name of (4-bromophenyl)-bis(4-chlorophenyl)methanol (CID 2756914) is (4-bromophenyl)-bis(4-chlorophenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-bis(4-chlorophenyl)methanol?
The canonical SMILES for (4-bromophenyl)-bis(4-chlorophenyl)methanol is OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-bis(4-chlorophenyl)methanol?
The InChIKey is HWPQKVMCAWVBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrCl2O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H.
What are the key properties of (4-bromophenyl)-bis(4-chlorophenyl)methanol?
(4-bromophenyl)-bis(4-chlorophenyl)methanol has a molecular weight of 408.12 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-bis(4-chlorophenyl)methanol is sourced from PubChem (CID 2756914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).