3-(3-bromo-2-methylphenyl)-2-methylphenol

C14H13BrO — CID 167107181

IUPAC3-(3-bromo-2-methylphenyl)-2-methylphenol
SMILESCc1c(O)cccc1-c1cccc(Br)c1C
InChIInChI=1S/C14H13BrO/c1-9-11(5-3-7-13(9)15)12-6-4-8-14(16)10(12)2/h3-8,16H,1-2H3
InChIKeyRQVWLFPFKHRCAU-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.44
Rot. Bonds1

About 3-(3-bromo-2-methylphenyl)-2-methylphenol

3-(3-bromo-2-methylphenyl)-2-methylphenol (PubChem CID 167107181) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 3-(3-bromo-2-methylphenyl)-2-methylphenol.

Molecular Properties

Compound Name3-(3-bromo-2-methylphenyl)-2-methylphenol
PubChem CID167107181
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name3-(3-bromo-2-methylphenyl)-2-methylphenol
SMILESCc1c(O)cccc1-c1cccc(Br)c1C
InChIInChI=1S/C14H13BrO/c1-9-11(5-3-7-13(9)15)12-6-4-8-14(16)10(12)2/h3-8,16H,1-2H3
InChIKeyRQVWLFPFKHRCAU-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylphenyl)-2-methylphenol?
The IUPAC name of 3-(3-bromo-2-methylphenyl)-2-methylphenol (CID 167107181) is 3-(3-bromo-2-methylphenyl)-2-methylphenol.
What is the SMILES notation for 3-(3-bromo-2-methylphenyl)-2-methylphenol?
The canonical SMILES for 3-(3-bromo-2-methylphenyl)-2-methylphenol is Cc1c(O)cccc1-c1cccc(Br)c1C.
What is the InChIKey of 3-(3-bromo-2-methylphenyl)-2-methylphenol?
The InChIKey is RQVWLFPFKHRCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-9-11(5-3-7-13(9)15)12-6-4-8-14(16)10(12)2/h3-8,16H,1-2H3.
What are the key properties of 3-(3-bromo-2-methylphenyl)-2-methylphenol?
3-(3-bromo-2-methylphenyl)-2-methylphenol has a molecular weight of 277.16 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylphenyl)-2-methylphenol is sourced from PubChem (CID 167107181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).