(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol

C13H15ClN2O2 — CID 113389943

IUPAC(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2cncn2C)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)10-3-4-13(12(14)5-10)18-7-11-6-15-8-16(11)2/h3-6,8-9,17H,7H2,1-2H3/t9-/m1/s1
InChIKeyNLJROBGUKXYRCG-SECBINFHSA-N
MW266.73 g/mol
LogP2.71
Rot. Bonds4

About (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol

(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 113389943) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol
PubChem CID113389943
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2cncn2C)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)10-3-4-13(12(14)5-10)18-7-11-6-15-8-16(11)2/h3-6,8-9,17H,7H2,1-2H3/t9-/m1/s1
InChIKeyNLJROBGUKXYRCG-SECBINFHSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881647
N-[[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 66142328
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
N-[[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 66141714
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82914081
5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104
(1R)-1-[5-chloro-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154464
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol (CID 113389943) is (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol is C[C@@H](O)c1ccc(OCc2cncn2C)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is NLJROBGUKXYRCG-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)10-3-4-13(12(14)5-10)18-7-11-6-15-8-16(11)2/h3-6,8-9,17H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol?
(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 266.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 113389943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).