(2-bromo-3-chloro-6-methylphenyl)methanol

C8H8BrClO — CID 131628561

IUPAC(2-bromo-3-chloro-6-methylphenyl)methanol
SMILESCc1ccc(Cl)c(Br)c1CO
InChIInChI=1S/C8H8BrClO/c1-5-2-3-7(10)8(9)6(5)4-11/h2-3,11H,4H2,1H3
InChIKeyYYXBDCNILNZXQY-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.90
Rot. Bonds1

About (2-bromo-3-chloro-6-methylphenyl)methanol

(2-bromo-3-chloro-6-methylphenyl)methanol (PubChem CID 131628561) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is (2-bromo-3-chloro-6-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-chloro-6-methylphenyl)methanol
PubChem CID131628561
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name(2-bromo-3-chloro-6-methylphenyl)methanol
SMILESCc1ccc(Cl)c(Br)c1CO
InChIInChI=1S/C8H8BrClO/c1-5-2-3-7(10)8(9)6(5)4-11/h2-3,11H,4H2,1H3
InChIKeyYYXBDCNILNZXQY-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate
CID 171011025
(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541
(3-bromo-4-chloro-2-methylphenyl)methanol
CID 131627539
6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 159859683
2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
CID 117386874
(2-amino-3,6-dimethylphenyl)methanol
CID 57370658
6-chloro-2-ethyl-3-methylphenol
CID 123495023
(2-bromo-4-methyl-3-propylphenyl)methanol
CID 142279408
(3-bromo-5-chloro-2,6-dimethylphenyl)methanol
CID 84803777
(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
(6-chloro-3-fluoro-2-methylphenyl)methanol
CID 130839356
2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
CID 117289652

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-chloro-6-methylphenyl)methanol?
The IUPAC name of (2-bromo-3-chloro-6-methylphenyl)methanol (CID 131628561) is (2-bromo-3-chloro-6-methylphenyl)methanol.
What is the SMILES notation for (2-bromo-3-chloro-6-methylphenyl)methanol?
The canonical SMILES for (2-bromo-3-chloro-6-methylphenyl)methanol is Cc1ccc(Cl)c(Br)c1CO.
What is the InChIKey of (2-bromo-3-chloro-6-methylphenyl)methanol?
The InChIKey is YYXBDCNILNZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-5-2-3-7(10)8(9)6(5)4-11/h2-3,11H,4H2,1H3.
What are the key properties of (2-bromo-3-chloro-6-methylphenyl)methanol?
(2-bromo-3-chloro-6-methylphenyl)methanol has a molecular weight of 235.51 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-chloro-6-methylphenyl)methanol is sourced from PubChem (CID 131628561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).