3-[(3-hydroxyanilino)methyl]phenol

C13H13NO2 — CID 21321439

IUPAC3-[(3-hydroxyanilino)methyl]phenol
SMILESOc1cccc(CNc2cccc(O)c2)c1
InChIInChI=1S/C13H13NO2/c15-12-5-1-3-10(7-12)9-14-11-4-2-6-13(16)8-11/h1-8,14-16H,9H2
InChIKeyKDQAHGIBJJAASL-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.71
Rot. Bonds3

About 3-[(3-hydroxyanilino)methyl]phenol

3-[(3-hydroxyanilino)methyl]phenol (PubChem CID 21321439) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(3-hydroxyanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(3-hydroxyanilino)methyl]phenol
PubChem CID21321439
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-[(3-hydroxyanilino)methyl]phenol
SMILESOc1cccc(CNc2cccc(O)c2)c1
InChIInChI=1S/C13H13NO2/c15-12-5-1-3-10(7-12)9-14-11-4-2-6-13(16)8-11/h1-8,14-16H,9H2
InChIKeyKDQAHGIBJJAASL-UHFFFAOYSA-N
XLogP2.71
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 28731454
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
2-[3-[(3-hydroxyanilino)methyl]phenoxy]acetonitrile
CID 43770960
3-[[3-[[(R)-phenylsulfinyl]methyl]anilino]methyl]phenol
CID 97236714
2-[(3-hydroxyanilino)methyl]benzene-1,3,5-triol
CID 21321371
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515
3-(2-phenylethylamino)phenol
CID 28722392
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140
3-(ethylamino)phenol
CID 578991

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyanilino)methyl]phenol?
The IUPAC name of 3-[(3-hydroxyanilino)methyl]phenol (CID 21321439) is 3-[(3-hydroxyanilino)methyl]phenol.
What is the SMILES notation for 3-[(3-hydroxyanilino)methyl]phenol?
The canonical SMILES for 3-[(3-hydroxyanilino)methyl]phenol is Oc1cccc(CNc2cccc(O)c2)c1.
What is the InChIKey of 3-[(3-hydroxyanilino)methyl]phenol?
The InChIKey is KDQAHGIBJJAASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-5-1-3-10(7-12)9-14-11-4-2-6-13(16)8-11/h1-8,14-16H,9H2.
What are the key properties of 3-[(3-hydroxyanilino)methyl]phenol?
3-[(3-hydroxyanilino)methyl]phenol has a molecular weight of 215.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyanilino)methyl]phenol is sourced from PubChem (CID 21321439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).