(1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol

C18H18N2O2 — CID 659565

IUPAC(1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol
SMILESCn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-20-12-11-19-18(20)17(21)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3
InChIKeyDUQGHXKEIJQUTQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.08
Rot. Bonds5

About (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol

(1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol (PubChem CID 659565) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol
PubChem CID659565
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol
SMILESCn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-20-12-11-19-18(20)17(21)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3
InChIKeyDUQGHXKEIJQUTQ-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol (CID 659565) is (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol is Cn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol?
The InChIKey is DUQGHXKEIJQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20-12-11-19-18(20)17(21)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol?
(1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol has a molecular weight of 294.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(4-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 659565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).