(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol

C16H16BrClO — CID 115807083

IUPAC(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(Br)ccc2Cl)cc1C
InChIInChI=1S/C16H16BrClO/c1-9-6-11(3)13(7-10(9)2)16(19)14-8-12(17)4-5-15(14)18/h4-8,16,19H,1-3H3
InChIKeyZDDCKBUBAQJLEO-UHFFFAOYSA-N
MW339.66 g/mol
LogP5.11
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol

(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol (PubChem CID 115807083) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
PubChem CID115807083
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(Br)ccc2Cl)cc1C
InChIInChI=1S/C16H16BrClO/c1-9-6-11(3)13(7-10(9)2)16(19)14-8-12(17)4-5-15(14)18/h4-8,16,19H,1-3H3
InChIKeyZDDCKBUBAQJLEO-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.66
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386
(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol
CID 114374820
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(5-bromo-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanol
CID 61081523
(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 115827983
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 115796560

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol (CID 115807083) is (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cc(Br)ccc2Cl)cc1C.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol?
The InChIKey is ZDDCKBUBAQJLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-9-6-11(3)13(7-10(9)2)16(19)14-8-12(17)4-5-15(14)18/h4-8,16,19H,1-3H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol?
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol has a molecular weight of 339.66 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 115807083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).