1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol

C14H19ClN2O2 — CID 121335161

IUPAC1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol
SMILESCCN1C=CN(CC(O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-2-16-7-8-17(11-16)9-13(18)10-19-14-5-3-12(15)4-6-14/h3-8,13,18H,2,9-11H2,1H3
InChIKeyLYQDRSFQNVNHJD-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.15
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol

1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol (PubChem CID 121335161) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol
PubChem CID121335161
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol
SMILESCCN1C=CN(CC(O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-2-16-7-8-17(11-16)9-13(18)10-19-14-5-3-12(15)4-6-14/h3-8,13,18H,2,9-11H2,1H3
InChIKeyLYQDRSFQNVNHJD-UHFFFAOYSA-N
XLogP2.15
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-ethenylphenyl)methyl]-2H-imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;hydroiodide
CID 174057907
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 86807083
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
CID 828194
1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol
CID 105127338
1-(4-chlorophenoxy)-3-(octan-4-ylamino)propan-2-ol
CID 106024294
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol (CID 121335161) is 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol is CCN1C=CN(CC(O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol?
The InChIKey is LYQDRSFQNVNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-16-7-8-17(11-16)9-13(18)10-19-14-5-3-12(15)4-6-14/h3-8,13,18H,2,9-11H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol has a molecular weight of 282.77 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol is sourced from PubChem (CID 121335161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).