(3-chloro-4-imidazol-1-ylphenyl)methanol

C10H9ClN2O — CID 81151416

IUPAC(3-chloro-4-imidazol-1-ylphenyl)methanol
SMILESOCc1ccc(-n2ccnc2)c(Cl)c1
InChIInChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2
InChIKeyGOZGKDDBSIDBIJ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.02
Rot. Bonds2

About (3-chloro-4-imidazol-1-ylphenyl)methanol

(3-chloro-4-imidazol-1-ylphenyl)methanol (PubChem CID 81151416) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is (3-chloro-4-imidazol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-imidazol-1-ylphenyl)methanol
PubChem CID81151416
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name(3-chloro-4-imidazol-1-ylphenyl)methanol
SMILESOCc1ccc(-n2ccnc2)c(Cl)c1
InChIInChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2
InChIKeyGOZGKDDBSIDBIJ-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-imidazol-1-ylphenyl)methanol?
The IUPAC name of (3-chloro-4-imidazol-1-ylphenyl)methanol (CID 81151416) is (3-chloro-4-imidazol-1-ylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-imidazol-1-ylphenyl)methanol?
The canonical SMILES for (3-chloro-4-imidazol-1-ylphenyl)methanol is OCc1ccc(-n2ccnc2)c(Cl)c1.
What is the InChIKey of (3-chloro-4-imidazol-1-ylphenyl)methanol?
The InChIKey is GOZGKDDBSIDBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2.
What are the key properties of (3-chloro-4-imidazol-1-ylphenyl)methanol?
(3-chloro-4-imidazol-1-ylphenyl)methanol has a molecular weight of 208.65 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-imidazol-1-ylphenyl)methanol is sourced from PubChem (CID 81151416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).