2-bromo-6-phenylmethoxyphenol

C13H11BrO2 — CID 67346586

IUPAC2-bromo-6-phenylmethoxyphenol
SMILESOc1c(Br)cccc1OCc1ccccc1
InChIInChI=1S/C13H11BrO2/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8,15H,9H2
InChIKeyNDVMBKDECDLZJZ-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.73
Rot. Bonds3

About 2-bromo-6-phenylmethoxyphenol

2-bromo-6-phenylmethoxyphenol (PubChem CID 67346586) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-bromo-6-phenylmethoxyphenol.

Molecular Properties

Compound Name2-bromo-6-phenylmethoxyphenol
PubChem CID67346586
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name2-bromo-6-phenylmethoxyphenol
SMILESOc1c(Br)cccc1OCc1ccccc1
InChIInChI=1S/C13H11BrO2/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8,15H,9H2
InChIKeyNDVMBKDECDLZJZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenylmethoxyphenyl)methyl 3-bromo-2-hydroxybenzoate
CID 167872103
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
2-bromo-6-prop-2-enoxyphenol
CID 170987480
4-(2-bromo-6-phenylmethoxyphenyl)but-3-yn-1-ol
CID 166771802
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
3-bromo-2-[1-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 67658768
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
3-bromo-2-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid
CID 67659367
2-phenylmethoxybenzene-1,3-diol
CID 15652625
2-phenylmethoxy-6-(piperidin-4-ylmethyl)phenol
CID 117479063

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-phenylmethoxyphenol?
The IUPAC name of 2-bromo-6-phenylmethoxyphenol (CID 67346586) is 2-bromo-6-phenylmethoxyphenol.
What is the SMILES notation for 2-bromo-6-phenylmethoxyphenol?
The canonical SMILES for 2-bromo-6-phenylmethoxyphenol is Oc1c(Br)cccc1OCc1ccccc1.
What is the InChIKey of 2-bromo-6-phenylmethoxyphenol?
The InChIKey is NDVMBKDECDLZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8,15H,9H2.
What are the key properties of 2-bromo-6-phenylmethoxyphenol?
2-bromo-6-phenylmethoxyphenol has a molecular weight of 279.13 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-phenylmethoxyphenol is sourced from PubChem (CID 67346586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).