3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol

C18H18N2O — CID 42642717

IUPAC3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol
SMILESCCC(c1ccc(-c2cccc(O)c2)cc1)n1ccnc1
InChIInChI=1S/C18H18N2O/c1-2-18(20-11-10-19-13-20)15-8-6-14(7-9-15)16-4-3-5-17(21)12-16/h3-13,18,21H,2H2,1H3
InChIKeyQPIBEGYAAIVGIH-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.26
Rot. Bonds4

About 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol

3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol (PubChem CID 42642717) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol
PubChem CID42642717
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol
SMILESCCC(c1ccc(-c2cccc(O)c2)cc1)n1ccnc1
InChIInChI=1S/C18H18N2O/c1-2-18(20-11-10-19-13-20)15-8-6-14(7-9-15)16-4-3-5-17(21)12-16/h3-13,18,21H,2H2,1H3
InChIKeyQPIBEGYAAIVGIH-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol?
The IUPAC name of 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol (CID 42642717) is 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol.
What is the SMILES notation for 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol?
The canonical SMILES for 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol is CCC(c1ccc(-c2cccc(O)c2)cc1)n1ccnc1.
What is the InChIKey of 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol?
The InChIKey is QPIBEGYAAIVGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-18(20-11-10-19-13-20)15-8-6-14(7-9-15)16-4-3-5-17(21)12-16/h3-13,18,21H,2H2,1H3.
What are the key properties of 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol?
3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol has a molecular weight of 278.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-imidazol-1-ylpropyl)phenyl]phenol is sourced from PubChem (CID 42642717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).