(3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol

C16H18N2O2 — CID 114518648

IUPAC(3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1cncn1C1CC1
InChIInChI=1S/C16H18N2O2/c19-16(15-9-17-10-18(15)12-3-4-12)11-1-5-13(6-2-11)20-14-7-8-14/h1-2,5-6,9-10,12,14,16,19H,3-4,7-8H2
InChIKeyJBWSQENZEXZEED-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.84
Rot. Bonds5

About (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol

(3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol (PubChem CID 114518648) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
PubChem CID114518648
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1cncn1C1CC1
InChIInChI=1S/C16H18N2O2/c19-16(15-9-17-10-18(15)12-3-4-12)11-1-5-13(6-2-11)20-14-7-8-14/h1-2,5-6,9-10,12,14,16,19H,3-4,7-8H2
InChIKeyJBWSQENZEXZEED-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol (CID 114518648) is (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol is OC(c1ccc(OC2CC2)cc1)c1cncn1C1CC1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol?
The InChIKey is JBWSQENZEXZEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(15-9-17-10-18(15)12-3-4-12)11-1-5-13(6-2-11)20-14-7-8-14/h1-2,5-6,9-10,12,14,16,19H,3-4,7-8H2.
What are the key properties of (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol?
(3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol has a molecular weight of 270.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 114518648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).