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

C16H14N2O — CID 10422220

IUPAC3-[4-(imidazol-1-ylmethyl)phenyl]phenol
SMILESOc1cccc(-c2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C16H14N2O/c19-16-3-1-2-15(10-16)14-6-4-13(5-7-14)11-18-9-8-17-12-18/h1-10,12,19H,11H2
InChIKeyRZEAXKIKDYLORZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.30
Rot. Bonds3

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

3-[4-(imidazol-1-ylmethyl)phenyl]phenol (PubChem CID 10422220) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[4-(imidazol-1-ylmethyl)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(imidazol-1-ylmethyl)phenyl]phenol
PubChem CID10422220
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-[4-(imidazol-1-ylmethyl)phenyl]phenol
SMILESOc1cccc(-c2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C16H14N2O/c19-16-3-1-2-15(10-16)14-6-4-13(5-7-14)11-18-9-8-17-12-18/h1-10,12,19H,11H2
InChIKeyRZEAXKIKDYLORZ-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(imidazol-1-ylmethyl)phenyl]phenol?
The IUPAC name of 3-[4-(imidazol-1-ylmethyl)phenyl]phenol (CID 10422220) is 3-[4-(imidazol-1-ylmethyl)phenyl]phenol.
What is the SMILES notation for 3-[4-(imidazol-1-ylmethyl)phenyl]phenol?
The canonical SMILES for 3-[4-(imidazol-1-ylmethyl)phenyl]phenol is Oc1cccc(-c2ccc(Cn3ccnc3)cc2)c1.
What is the InChIKey of 3-[4-(imidazol-1-ylmethyl)phenyl]phenol?
The InChIKey is RZEAXKIKDYLORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-3-1-2-15(10-16)14-6-4-13(5-7-14)11-18-9-8-17-12-18/h1-10,12,19H,11H2.
What are the key properties of 3-[4-(imidazol-1-ylmethyl)phenyl]phenol?
3-[4-(imidazol-1-ylmethyl)phenyl]phenol has a molecular weight of 250.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(imidazol-1-ylmethyl)phenyl]phenol is sourced from PubChem (CID 10422220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).