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

C17H18BrClO — CID 81294910

IUPAC(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCc1cc(C)c(C)c(C(O)c2ccc(Br)c(Cl)c2)c1C
InChIInChI=1S/C17H18BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-14(18)15(19)8-13/h5-8,17,20H,1-4H3
InChIKeyCTARCLOKIQZMBD-UHFFFAOYSA-N
MW353.69 g/mol
LogP5.42
Rot. Bonds2

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

(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol (PubChem CID 81294910) has the molecular formula C17H18BrClO and a molecular weight of 353.69 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
PubChem CID81294910
Molecular FormulaC17H18BrClO
Molecular Weight353.69 g/mol
Exact Mass352.02
IUPAC Name(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCc1cc(C)c(C)c(C(O)c2ccc(Br)c(Cl)c2)c1C
InChIInChI=1S/C17H18BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-14(18)15(19)8-13/h5-8,17,20H,1-4H3
InChIKeyCTARCLOKIQZMBD-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426192
(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
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796759
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
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)-(2,3-dihydrofuran-5-yl)methanol
CID 102653924

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol (CID 81294910) is (4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol is Cc1cc(C)c(C)c(C(O)c2ccc(Br)c(Cl)c2)c1C.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The InChIKey is CTARCLOKIQZMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-14(18)15(19)8-13/h5-8,17,20H,1-4H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol has a molecular weight of 353.69 g/mol, XLogP of 5.42, 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)-(2,3,5,6-tetramethylphenyl)methanol is sourced from PubChem (CID 81294910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).