5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol

C16H19NO4 — CID 107707749

IUPAC5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
SMILESCOc1ccccc1NC(C)(CO)c1cc(O)cc(O)c1
InChIInChI=1S/C16H19NO4/c1-16(10-18,11-7-12(19)9-13(20)8-11)17-14-5-3-4-6-15(14)21-2/h3-9,17-20H,10H2,1-2H3
InChIKeyNFLGCZRKVOHKEW-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.43
Rot. Bonds5

About 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol

5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol (PubChem CID 107707749) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
PubChem CID107707749
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
SMILESCOc1ccccc1NC(C)(CO)c1cc(O)cc(O)c1
InChIInChI=1S/C16H19NO4/c1-16(10-18,11-7-12(19)9-13(20)8-11)17-14-5-3-4-6-15(14)21-2/h3-9,17-20H,10H2,1-2H3
InChIKeyNFLGCZRKVOHKEW-UHFFFAOYSA-N
XLogP2.43
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
CID 61048485
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
4-methoxy-2-(2-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050474
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
2-(2-methoxyanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048291
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol
CID 64919153
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol?
The IUPAC name of 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol (CID 107707749) is 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol is COc1ccccc1NC(C)(CO)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol?
The InChIKey is NFLGCZRKVOHKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-16(10-18,11-7-12(19)9-13(20)8-11)17-14-5-3-4-6-15(14)21-2/h3-9,17-20H,10H2,1-2H3.
What are the key properties of 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol?
5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol has a molecular weight of 289.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol is sourced from PubChem (CID 107707749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).