2-[(2-bromophenyl)methyl]benzene-1,3-diol

C13H11BrO2 — CID 135030725

IUPAC2-[(2-bromophenyl)methyl]benzene-1,3-diol
SMILESOc1cccc(O)c1Cc1ccccc1Br
InChIInChI=1S/C13H11BrO2/c14-11-5-2-1-4-9(11)8-10-12(15)6-3-7-13(10)16/h1-7,15-16H,8H2
InChIKeyMJIQEKDXSRTMBJ-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.45
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]benzene-1,3-diol

2-[(2-bromophenyl)methyl]benzene-1,3-diol (PubChem CID 135030725) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]benzene-1,3-diol
PubChem CID135030725
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name2-[(2-bromophenyl)methyl]benzene-1,3-diol
SMILESOc1cccc(O)c1Cc1ccccc1Br
InChIInChI=1S/C13H11BrO2/c14-11-5-2-1-4-9(11)8-10-12(15)6-3-7-13(10)16/h1-7,15-16H,8H2
InChIKeyMJIQEKDXSRTMBJ-UHFFFAOYSA-N
XLogP3.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-bis(fluoromethyl)phenol
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2-(2-bromophenyl)acetyl bromide
CID 87290551
2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 86005366
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
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CID 130501496
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]benzene-1,3-diol?
The IUPAC name of 2-[(2-bromophenyl)methyl]benzene-1,3-diol (CID 135030725) is 2-[(2-bromophenyl)methyl]benzene-1,3-diol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]benzene-1,3-diol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]benzene-1,3-diol is Oc1cccc(O)c1Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]benzene-1,3-diol?
The InChIKey is MJIQEKDXSRTMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c14-11-5-2-1-4-9(11)8-10-12(15)6-3-7-13(10)16/h1-7,15-16H,8H2.
What are the key properties of 2-[(2-bromophenyl)methyl]benzene-1,3-diol?
2-[(2-bromophenyl)methyl]benzene-1,3-diol has a molecular weight of 279.13 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 135030725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).