2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol

C12H13ClN2O2 — CID 136822380

IUPAC2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol
SMILESCCn1ccnc1-c1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C12H13ClN2O2/c1-3-15-5-4-14-12(15)8-6-9(13)11(16)10(7-8)17-2/h4-7,16H,3H2,1-2H3
InChIKeyVKLRJZSUPDYQIU-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol

2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol (PubChem CID 136822380) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol
PubChem CID136822380
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol
SMILESCCn1ccnc1-c1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C12H13ClN2O2/c1-3-15-5-4-14-12(15)8-6-9(13)11(16)10(7-8)17-2/h4-7,16H,3H2,1-2H3
InChIKeyVKLRJZSUPDYQIU-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-methyl-3H-1,3-thiazole-2-thione
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3-chloro-4-hydroxy-5-methoxybenzohydrazide
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4-[1-[[(2S)-1,4-dioxan-2-yl]methyl]imidazol-2-yl]-2-methoxy-6-prop-2-enylphenol
CID 136858362
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2-(1-ethylimidazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanol
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2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole
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2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol?
The IUPAC name of 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol (CID 136822380) is 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol is CCn1ccnc1-c1cc(Cl)c(O)c(OC)c1.
What is the InChIKey of 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol?
The InChIKey is VKLRJZSUPDYQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-15-5-4-14-12(15)8-6-9(13)11(16)10(7-8)17-2/h4-7,16H,3H2,1-2H3.
What are the key properties of 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol?
2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol has a molecular weight of 252.70 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol is sourced from PubChem (CID 136822380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).