2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone

C15H15BrO3 — CID 67836332

IUPAC2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone
SMILESCC(=O)c1cccc(O)c1.Cc1ccc(O)c(Br)c1
InChIInChI=1S/C8H8O2.C7H7BrO/c1-6(9)7-3-2-4-8(10)5-7;1-5-2-3-7(9)6(8)4-5/h2-5,10H,1H3;2-4,9H,1H3
InChIKeyNPXVLKOAGJNJMW-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.06
Rot. Bonds1

About 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone

2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone (PubChem CID 67836332) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone
PubChem CID67836332
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone
SMILESCC(=O)c1cccc(O)c1.Cc1ccc(O)c(Br)c1
InChIInChI=1S/C8H8O2.C7H7BrO/c1-6(9)7-3-2-4-8(10)5-7;1-5-2-3-7(9)6(8)4-5/h2-5,10H,1H3;2-4,9H,1H3
InChIKeyNPXVLKOAGJNJMW-UHFFFAOYSA-N
XLogP4.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone?
The IUPAC name of 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone (CID 67836332) is 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone is CC(=O)c1cccc(O)c1.Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone?
The InChIKey is NPXVLKOAGJNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C7H7BrO/c1-6(9)7-3-2-4-8(10)5-7;1-5-2-3-7(9)6(8)4-5/h2-5,10H,1H3;2-4,9H,1H3.
What are the key properties of 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone?
2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone has a molecular weight of 323.19 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 67836332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).