1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol

C15H22Cl2O2 — CID 107308273

IUPAC1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol
SMILESCCOC(CC)(CC)C(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2O2/c1-4-15(5-2,19-6-3)13(18)10-11-8-7-9-12(16)14(11)17/h7-9,13,18H,4-6,10H2,1-3H3
InChIKeyWNPDFXMBDCAOLX-UHFFFAOYSA-N
MW305.24 g/mol
LogP4.49
Rot. Bonds7

About 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol

1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol (PubChem CID 107308273) has the molecular formula C15H22Cl2O2 and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol
PubChem CID107308273
Molecular FormulaC15H22Cl2O2
Molecular Weight305.24 g/mol
Exact Mass304.10
IUPAC Name1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol
SMILESCCOC(CC)(CC)C(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2O2/c1-4-15(5-2,19-6-3)13(18)10-11-8-7-9-12(16)14(11)17/h7-9,13,18H,4-6,10H2,1-3H3
InChIKeyWNPDFXMBDCAOLX-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-3-ethyl-1-phenylpentan-2-ol
CID 116752448
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
CID 107308264
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752655
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 107308193
ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate
CID 2313836
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-one
CID 107308023
1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 107309099
1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol
CID 103039717
1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
CID 116751904
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol (CID 107308273) is 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol is CCOC(CC)(CC)C(O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol?
The InChIKey is WNPDFXMBDCAOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2O2/c1-4-15(5-2,19-6-3)13(18)10-11-8-7-9-12(16)14(11)17/h7-9,13,18H,4-6,10H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol?
1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol has a molecular weight of 305.24 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol is sourced from PubChem (CID 107308273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).