(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol

C13H15ClN2O2 — CID 66135362

IUPAC(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H15ClN2O2/c1-3-16-8-15-7-11(16)13(17)10-6-9(14)4-5-12(10)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyREOWVCLPDXJJTO-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.65
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol

(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol (PubChem CID 66135362) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol
PubChem CID66135362
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H15ClN2O2/c1-3-16-8-15-7-11(16)13(17)10-6-9(14)4-5-12(10)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyREOWVCLPDXJJTO-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(3-propylimidazol-4-yl)methanol
CID 82769158
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580
(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66130445
(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134131
2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134128
1-(3-ethylimidazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 66133516
(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134745
N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 82901739
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol
CID 107359083
(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
CID 103142939

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol (CID 66135362) is (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol is CCn1cncc1C(O)c1cc(Cl)ccc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol?
The InChIKey is REOWVCLPDXJJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-16-8-15-7-11(16)13(17)10-6-9(14)4-5-12(10)18-2/h4-8,13,17H,3H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol?
(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol has a molecular weight of 266.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol is sourced from PubChem (CID 66135362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).