4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol

C15H16ClNO2 — CID 61047734

IUPAC4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
SMILESCC(CO)(Nc1ccccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H16ClNO2/c1-15(10-18,11-6-8-12(19)9-7-11)17-14-5-3-2-4-13(14)16/h2-9,17-19H,10H2,1H3
InChIKeyIUVOODZEFZRSAD-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.37
Rot. Bonds4

About 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol

4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol (PubChem CID 61047734) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
PubChem CID61047734
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
SMILESCC(CO)(Nc1ccccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H16ClNO2/c1-15(10-18,11-6-8-12(19)9-7-11)17-14-5-3-2-4-13(14)16/h2-9,17-19H,10H2,1H3
InChIKeyIUVOODZEFZRSAD-UHFFFAOYSA-N
XLogP3.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-chloro-6-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzonitrile
CID 105058533
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126820
2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
CID 61047505
5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
CID 107707749
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
CID 105058453

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol?
The IUPAC name of 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol (CID 61047734) is 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol.
What is the SMILES notation for 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol?
The canonical SMILES for 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol is CC(CO)(Nc1ccccc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol?
The InChIKey is IUVOODZEFZRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-15(10-18,11-6-8-12(19)9-7-11)17-14-5-3-2-4-13(14)16/h2-9,17-19H,10H2,1H3.
What are the key properties of 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol?
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol has a molecular weight of 277.75 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol is sourced from PubChem (CID 61047734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).