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1-(3-chloro-5-methylphenyl)-2-ethoxyethanol

C11H15ClO2 — CID 115818780

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3-chloro-5-methylphenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-3-14-7-11(13)9-4-8(2)5-10(12)6-9/h4-6,11,13H,3,7H2,1-2H3
InChIKeyHWUPCPXPKCXCOJ-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.72
Rot. Bonds4

About 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol

1-(3-chloro-5-methylphenyl)-2-ethoxyethanol (PubChem CID 115818780) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-ethoxyethanol
PubChem CID115818780
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(3-chloro-5-methylphenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-3-14-7-11(13)9-4-8(2)5-10(12)6-9/h4-6,11,13H,3,7H2,1-2H3
InChIKeyHWUPCPXPKCXCOJ-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol (CID 115818780) is 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol is CCOCC(O)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol?
The InChIKey is HWUPCPXPKCXCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-14-7-11(13)9-4-8(2)5-10(12)6-9/h4-6,11,13H,3,7H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol?
1-(3-chloro-5-methylphenyl)-2-ethoxyethanol has a molecular weight of 214.69 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-ethoxyethanol is sourced from PubChem (CID 115818780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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