4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol

C11H15BrO2 — CID 117401010

IUPAC4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
SMILESCc1cc(Br)c(C(C)CO)c(C)c1O
InChIInChI=1S/C11H15BrO2/c1-6-4-9(12)10(7(2)5-13)8(3)11(6)14/h4,7,13-14H,5H2,1-3H3
InChIKeyOQECTCWGXPQZTE-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.87
Rot. Bonds2

About 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol

4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol (PubChem CID 117401010) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
PubChem CID117401010
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
SMILESCc1cc(Br)c(C(C)CO)c(C)c1O
InChIInChI=1S/C11H15BrO2/c1-6-4-9(12)10(7(2)5-13)8(3)11(6)14/h4,7,13-14H,5H2,1-3H3
InChIKeyOQECTCWGXPQZTE-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117306028
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
CID 82623841
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117481938
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
2-(5-bromo-2,3-dimethylphenyl)propan-1-ol
CID 117359066
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513
2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
CID 117333428
2-(2-bromo-3,4-dimethoxy-6-methylphenyl)propan-1-ol
CID 117467053
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol?
The IUPAC name of 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol (CID 117401010) is 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol.
What is the SMILES notation for 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol?
The canonical SMILES for 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol is Cc1cc(Br)c(C(C)CO)c(C)c1O.
What is the InChIKey of 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol?
The InChIKey is OQECTCWGXPQZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-6-4-9(12)10(7(2)5-13)8(3)11(6)14/h4,7,13-14H,5H2,1-3H3.
What are the key properties of 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol?
4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol has a molecular weight of 259.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol is sourced from PubChem (CID 117401010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).