(3-bromo-5-chloro-2,6-dimethylphenyl)methanol

C9H10BrClO — CID 84803777

IUPAC(3-bromo-5-chloro-2,6-dimethylphenyl)methanol
SMILESCc1c(Cl)cc(Br)c(C)c1CO
InChIInChI=1S/C9H10BrClO/c1-5-7(4-12)6(2)9(11)3-8(5)10/h3,12H,4H2,1-2H3
InChIKeyFYADTKIENNWKLQ-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.21
Rot. Bonds1

About (3-bromo-5-chloro-2,6-dimethylphenyl)methanol

(3-bromo-5-chloro-2,6-dimethylphenyl)methanol (PubChem CID 84803777) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is (3-bromo-5-chloro-2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2,6-dimethylphenyl)methanol
PubChem CID84803777
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name(3-bromo-5-chloro-2,6-dimethylphenyl)methanol
SMILESCc1c(Cl)cc(Br)c(C)c1CO
InChIInChI=1S/C9H10BrClO/c1-5-7(4-12)6(2)9(11)3-8(5)10/h3,12H,4H2,1-2H3
InChIKeyFYADTKIENNWKLQ-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
CID 84803776
1-bromo-3,5-dichloro-2-methylbenzene
CID 10263661
(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol
CID 166835677
(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117400769
(2-bromo-4,5-dichlorophenyl)methanol
CID 68615356
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
(2-bromo-3-chloro-6-methylphenyl)methanol
CID 131628561
(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
2-(3-bromo-5-chloro-4-methylphenyl)acetic acid
CID 171005978
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2,6-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-5-chloro-2,6-dimethylphenyl)methanol (CID 84803777) is (3-bromo-5-chloro-2,6-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2,6-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2,6-dimethylphenyl)methanol is Cc1c(Cl)cc(Br)c(C)c1CO.
What is the InChIKey of (3-bromo-5-chloro-2,6-dimethylphenyl)methanol?
The InChIKey is FYADTKIENNWKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-5-7(4-12)6(2)9(11)3-8(5)10/h3,12H,4H2,1-2H3.
What are the key properties of (3-bromo-5-chloro-2,6-dimethylphenyl)methanol?
(3-bromo-5-chloro-2,6-dimethylphenyl)methanol has a molecular weight of 249.53 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2,6-dimethylphenyl)methanol is sourced from PubChem (CID 84803777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).