4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol

C18H24N2O3 — CID 136847947

IUPAC4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol
SMILESOc1ccc(-c2nccn2C[C@@H](O)COC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/c21-15-8-6-14(7-9-15)18-19-10-11-20(18)12-16(22)13-23-17-4-2-1-3-5-17/h6-11,16-17,21-22H,1-5,12-13H2/t16-/m1/s1
InChIKeyOCDZXEAASWZDFH-MRXNPFEDSA-N
MW316.40 g/mol
LogP2.97
Rot. Bonds6

About 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol

4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol (PubChem CID 136847947) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol
PubChem CID136847947
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol
SMILESOc1ccc(-c2nccn2C[C@@H](O)COC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/c21-15-8-6-14(7-9-15)18-19-10-11-20(18)12-16(22)13-23-17-4-2-1-3-5-17/h6-11,16-17,21-22H,1-5,12-13H2/t16-/m1/s1
InChIKeyOCDZXEAASWZDFH-MRXNPFEDSA-N
XLogP2.97
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol?
The IUPAC name of 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol (CID 136847947) is 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol.
What is the SMILES notation for 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol?
The canonical SMILES for 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol is Oc1ccc(-c2nccn2C[C@@H](O)COC2CCCCC2)cc1.
What is the InChIKey of 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol?
The InChIKey is OCDZXEAASWZDFH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-15-8-6-14(7-9-15)18-19-10-11-20(18)12-16(22)13-23-17-4-2-1-3-5-17/h6-11,16-17,21-22H,1-5,12-13H2/t16-/m1/s1.
What are the key properties of 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol?
4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol has a molecular weight of 316.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol is sourced from PubChem (CID 136847947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).