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

C11H15ClO2 — CID 115818780

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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Related Compounds

1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
CID 105007905
1-(3-chloro-5-methylphenyl)decan-1-ol
CID 115782985
ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117329427
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
ethyl (3S)-3-amino-3-(3-chloro-5-methylphenyl)propanoate
CID 140851212
1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
CID 115818736
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
1-(3-chloro-5-methylphenyl)-2-methylbutan-1-amine
CID 105017612
(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831

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).