(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol

C18H20BrClO — CID 81293215

IUPAC(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2ccc(Br)c(Cl)c2)c(C)c1C
InChIInChI=1S/C18H20BrClO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-7-15(19)16(20)8-14/h6-8,18,21H,1-5H3
InChIKeyWSTCJXKPUBSWIY-UHFFFAOYSA-N
MW367.71 g/mol
LogP5.73
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol

(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 81293215) has the molecular formula C18H20BrClO and a molecular weight of 367.71 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID81293215
Molecular FormulaC18H20BrClO
Molecular Weight367.71 g/mol
Exact Mass366.04
IUPAC Name(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2ccc(Br)c(Cl)c2)c(C)c1C
InChIInChI=1S/C18H20BrClO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-7-15(19)16(20)8-14/h6-8,18,21H,1-5H3
InChIKeyWSTCJXKPUBSWIY-UHFFFAOYSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 81294910
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(4-bromo-3-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884138
(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
CID 81294913
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796759
1-(4-bromo-3-chlorophenyl)-3-methylbut-2-en-1-ol
CID 115817113
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
(4-bromo-3-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanol
CID 102653924
(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426192

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol (CID 81293215) is (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol is Cc1c(C)c(C)c(C(O)c2ccc(Br)c(Cl)c2)c(C)c1C.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is WSTCJXKPUBSWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-7-15(19)16(20)8-14/h6-8,18,21H,1-5H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol?
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 367.71 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 81293215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).