(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol

C10H13BrO2 — CID 84802792

IUPAC(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
SMILESCOc1cc(C)c(Br)c(C)c1CO
InChIInChI=1S/C10H13BrO2/c1-6-4-9(13-3)8(5-12)7(2)10(6)11/h4,12H,5H2,1-3H3
InChIKeyICCLVKGNAFIWLQ-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.57
Rot. Bonds2

About (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol

(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol (PubChem CID 84802792) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
PubChem CID84802792
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
SMILESCOc1cc(C)c(Br)c(C)c1CO
InChIInChI=1S/C10H13BrO2/c1-6-4-9(13-3)8(5-12)7(2)10(6)11/h4,12H,5H2,1-3H3
InChIKeyICCLVKGNAFIWLQ-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
3-bromo-6-methoxy-2,4-dimethylbenzonitrile
CID 50883121
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308
(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
CID 84706876
2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
CID 117400972

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol (CID 84802792) is (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol is COc1cc(C)c(Br)c(C)c1CO.
What is the InChIKey of (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol?
The InChIKey is ICCLVKGNAFIWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-6-4-9(13-3)8(5-12)7(2)10(6)11/h4,12H,5H2,1-3H3.
What are the key properties of (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol?
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol has a molecular weight of 245.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6-methoxy-2,4-dimethylphenyl)methanol is sourced from PubChem (CID 84802792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).