5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol

C11H16N2O2 — CID 134693745

IUPAC5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol
SMILESCOc1ccc(C2NC[C@@H](C)N2)c(O)c1
InChIInChI=1S/C11H16N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,11-14H,6H2,1-2H3/t7-,11?/m1/s1
InChIKeyUIFSLRAGACNRBZ-DKSCNQEISA-N
MW208.26 g/mol
LogP0.98
Rot. Bonds2

About 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol

5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol (PubChem CID 134693745) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol
PubChem CID134693745
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol
SMILESCOc1ccc(C2NC[C@@H](C)N2)c(O)c1
InChIInChI=1S/C11H16N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,11-14H,6H2,1-2H3/t7-,11?/m1/s1
InChIKeyUIFSLRAGACNRBZ-DKSCNQEISA-N
XLogP0.98
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol?
The IUPAC name of 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol (CID 134693745) is 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol?
The canonical SMILES for 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol is COc1ccc(C2NC[C@@H](C)N2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol?
The InChIKey is UIFSLRAGACNRBZ-DKSCNQEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,11-14H,6H2,1-2H3/t7-,11?/m1/s1.
What are the key properties of 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol?
5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol has a molecular weight of 208.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol is sourced from PubChem (CID 134693745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).