3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol

C20H26N2O3 — CID 146438415

IUPAC3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol
SMILESOc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1
InChIInChI=1S/C20H26N2O3/c23-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(24)13-22-11-10-21-15-22/h1-7,12,19,21,23-24H,8-11,13-15H2/t19-/m0/s1
InChIKeyMUTLJVPBMPXEDQ-IBGZPJMESA-N
MW342.44 g/mol
LogP1.78
Rot. Bonds8

About 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol

3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol (PubChem CID 146438415) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol
PubChem CID146438415
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol
SMILESOc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1
InChIInChI=1S/C20H26N2O3/c23-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(24)13-22-11-10-21-15-22/h1-7,12,19,21,23-24H,8-11,13-15H2/t19-/m0/s1
InChIKeyMUTLJVPBMPXEDQ-IBGZPJMESA-N
XLogP1.78
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol?
The IUPAC name of 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol (CID 146438415) is 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol.
What is the SMILES notation for 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol?
The canonical SMILES for 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol is Oc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1.
What is the InChIKey of 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol?
The InChIKey is MUTLJVPBMPXEDQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(24)13-22-11-10-21-15-22/h1-7,12,19,21,23-24H,8-11,13-15H2/t19-/m0/s1.
What are the key properties of 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol?
3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol has a molecular weight of 342.44 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol is sourced from PubChem (CID 146438415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).