[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol

C13H15ClN2O2 — CID 112612886

IUPAC[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
SMILESOCc1cccc(Cl)c1OCCCn1ccnc1
InChIInChI=1S/C13H15ClN2O2/c14-12-4-1-3-11(9-17)13(12)18-8-2-6-16-7-5-15-10-16/h1,3-5,7,10,17H,2,6,8-9H2
InChIKeyZYUJJUINJKTHQW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.50
Rot. Bonds6

About [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol

[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol (PubChem CID 112612886) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
PubChem CID112612886
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
SMILESOCc1cccc(Cl)c1OCCCn1ccnc1
InChIInChI=1S/C13H15ClN2O2/c14-12-4-1-3-11(9-17)13(12)18-8-2-6-16-7-5-15-10-16/h1,3-5,7,10,17H,2,6,8-9H2
InChIKeyZYUJJUINJKTHQW-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
CID 2993147
[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
CID 114320427
[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]methanamine
CID 112608034
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole
CID 2994656
[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 79887552
1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 112608841
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
[3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol
CID 114279063
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
1-[4-(2,6-dimethylphenoxy)butyl]imidazole;oxalic acid
CID 2843619

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol?
The IUPAC name of [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol (CID 112612886) is [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol is OCc1cccc(Cl)c1OCCCn1ccnc1.
What is the InChIKey of [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol?
The InChIKey is ZYUJJUINJKTHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-12-4-1-3-11(9-17)13(12)18-8-2-6-16-7-5-15-10-16/h1,3-5,7,10,17H,2,6,8-9H2.
What are the key properties of [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol?
[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol has a molecular weight of 266.73 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol is sourced from PubChem (CID 112612886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).