2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol

C14H14BrNO3 — CID 28722263

IUPAC2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2cccc(O)c2)cc(Br)c1O
InChIInChI=1S/C14H14BrNO3/c1-19-13-6-9(5-12(15)14(13)18)8-16-10-3-2-4-11(17)7-10/h2-7,16-18H,8H2,1H3
InChIKeyNEHHWKXCWBJJBP-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.48
Rot. Bonds4

About 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol

2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol (PubChem CID 28722263) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
PubChem CID28722263
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2cccc(O)c2)cc(Br)c1O
InChIInChI=1S/C14H14BrNO3/c1-19-13-6-9(5-12(15)14(13)18)8-16-10-3-2-4-11(17)7-10/h2-7,16-18H,8H2,1H3
InChIKeyNEHHWKXCWBJJBP-UHFFFAOYSA-N
XLogP3.48
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
CID 107700951
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
CID 28615702
2,6-dibromo-4-[(3-methylanilino)methyl]phenol
CID 103619387
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol
CID 43540114
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 62316969
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-chlorobenzonitrile
CID 43686817
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83078315
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803630
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol (CID 28722263) is 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol is COc1cc(CNc2cccc(O)c2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol?
The InChIKey is NEHHWKXCWBJJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-19-13-6-9(5-12(15)14(13)18)8-16-10-3-2-4-11(17)7-10/h2-7,16-18H,8H2,1H3.
What are the key properties of 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol?
2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol has a molecular weight of 324.17 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 28722263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).