(4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol

C21H17BrCl2O — CID 162718798

IUPAC(4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol
SMILESCc1ccc(Cl)cc1C(O)(c1ccc(Br)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C21H17BrCl2O/c1-13-3-9-17(23)11-19(13)21(25,15-5-7-16(22)8-6-15)20-12-18(24)10-4-14(20)2/h3-12,25H,1-2H3
InChIKeyPZQQNRURCRMPLO-UHFFFAOYSA-N
MW436.18 g/mol
LogP6.66
Rot. Bonds3

About (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol

(4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol (PubChem CID 162718798) has the molecular formula C21H17BrCl2O and a molecular weight of 436.18 g/mol. Its IUPAC name is (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol
PubChem CID162718798
Molecular FormulaC21H17BrCl2O
Molecular Weight436.18 g/mol
Exact Mass433.98
IUPAC Name(4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol
SMILESCc1ccc(Cl)cc1C(O)(c1ccc(Br)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C21H17BrCl2O/c1-13-3-9-17(23)11-19(13)21(25,15-5-7-16(22)8-6-15)20-12-18(24)10-4-14(20)2/h3-12,25H,1-2H3
InChIKeyPZQQNRURCRMPLO-UHFFFAOYSA-N
XLogP6.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.18
LogP ≤ 56.66
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

(4-bromophenyl)-bis(4-chlorophenyl)methanol
CID 2756914
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 55186959
(2S)-2-(5-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 97294242
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 67599120
1-bromo-4-chlorobenzene
CID 7806
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65316570
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
1-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 62787429
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol?
The IUPAC name of (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol (CID 162718798) is (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol?
The canonical SMILES for (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol is Cc1ccc(Cl)cc1C(O)(c1ccc(Br)cc1)c1cc(Cl)ccc1C.
What is the InChIKey of (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol?
The InChIKey is PZQQNRURCRMPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2O/c1-13-3-9-17(23)11-19(13)21(25,15-5-7-16(22)8-6-15)20-12-18(24)10-4-14(20)2/h3-12,25H,1-2H3.
What are the key properties of (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol?
(4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol has a molecular weight of 436.18 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 162718798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).