4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol

C22H31NO2 — CID 71294934

IUPAC4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol
SMILESCC(Cc1cccc(N(C(C)C)C(C)C)c1)C(O)c1ccc(O)cc1
InChIInChI=1S/C22H31NO2/c1-15(2)23(16(3)4)20-8-6-7-18(14-20)13-17(5)22(25)19-9-11-21(24)12-10-19/h6-12,14-17,22,24-25H,13H2,1-5H3
InChIKeyGJILPZAKXJFFGW-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.93
Rot. Bonds7

About 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol

4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol (PubChem CID 71294934) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol.

Molecular Properties

Compound Name4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol
PubChem CID71294934
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol
SMILESCC(Cc1cccc(N(C(C)C)C(C)C)c1)C(O)c1ccc(O)cc1
InChIInChI=1S/C22H31NO2/c1-15(2)23(16(3)4)20-8-6-7-18(14-20)13-17(5)22(25)19-9-11-21(24)12-10-19/h6-12,14-17,22,24-25H,13H2,1-5H3
InChIKeyGJILPZAKXJFFGW-UHFFFAOYSA-N
XLogP4.93
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol?
The IUPAC name of 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol (CID 71294934) is 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol.
What is the SMILES notation for 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol?
The canonical SMILES for 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol is CC(Cc1cccc(N(C(C)C)C(C)C)c1)C(O)c1ccc(O)cc1.
What is the InChIKey of 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol?
The InChIKey is GJILPZAKXJFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-15(2)23(16(3)4)20-8-6-7-18(14-20)13-17(5)22(25)19-9-11-21(24)12-10-19/h6-12,14-17,22,24-25H,13H2,1-5H3.
What are the key properties of 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol?
4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol has a molecular weight of 341.50 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol is sourced from PubChem (CID 71294934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).