4-bromo-2-[(2-methylphenyl)methyl]phenol

C14H13BrO — CID 164892192

IUPAC4-bromo-2-[(2-methylphenyl)methyl]phenol
SMILESCc1ccccc1Cc1cc(Br)ccc1O
InChIInChI=1S/C14H13BrO/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9,16H,8H2,1H3
InChIKeyDJFRKHKHMGJPGB-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.05
Rot. Bonds2

About 4-bromo-2-[(2-methylphenyl)methyl]phenol

4-bromo-2-[(2-methylphenyl)methyl]phenol (PubChem CID 164892192) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 4-bromo-2-[(2-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-methylphenyl)methyl]phenol
PubChem CID164892192
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name4-bromo-2-[(2-methylphenyl)methyl]phenol
SMILESCc1ccccc1Cc1cc(Br)ccc1O
InChIInChI=1S/C14H13BrO/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9,16H,8H2,1H3
InChIKeyDJFRKHKHMGJPGB-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-[(4-fluorophenyl)methyl]phenol
CID 68530716
4-[(2-hydroxyphenyl)methyl]-2,5-dimethylphenol
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CID 45029997
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
2-[(4-bromo-2-methylphenyl)methoxy]phenol
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2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid
CID 67045068
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene
CID 123745360
2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
CID 134294519
4-bromo-2-[(N,4-dimethylanilino)methyl]phenol
CID 82979138
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CID 1371435

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-methylphenyl)methyl]phenol?
The IUPAC name of 4-bromo-2-[(2-methylphenyl)methyl]phenol (CID 164892192) is 4-bromo-2-[(2-methylphenyl)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-methylphenyl)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-methylphenyl)methyl]phenol is Cc1ccccc1Cc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(2-methylphenyl)methyl]phenol?
The InChIKey is DJFRKHKHMGJPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9,16H,8H2,1H3.
What are the key properties of 4-bromo-2-[(2-methylphenyl)methyl]phenol?
4-bromo-2-[(2-methylphenyl)methyl]phenol has a molecular weight of 277.16 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-methylphenyl)methyl]phenol is sourced from PubChem (CID 164892192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).