1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol

C13H18Cl2O2 — CID 107308264

IUPAC1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
SMILESCCOC(CC)C(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-12(17-4-2)11(16)8-9-6-5-7-10(14)13(9)15/h5-7,11-12,16H,3-4,8H2,1-2H3
InChIKeyMCNOTQHCPLUCGK-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.71
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol

1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol (PubChem CID 107308264) has the molecular formula C13H18Cl2O2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
PubChem CID107308264
Molecular FormulaC13H18Cl2O2
Molecular Weight277.19 g/mol
Exact Mass276.07
IUPAC Name1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
SMILESCCOC(CC)C(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-12(17-4-2)11(16)8-9-6-5-7-10(14)13(9)15/h5-7,11-12,16H,3-4,8H2,1-2H3
InChIKeyMCNOTQHCPLUCGK-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
CID 107309069
1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol
CID 116711097
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-one
CID 107308023
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol
CID 107308273
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
3-[(2,3-dichlorophenyl)methyl]pentan-2-one
CID 107307026
ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate
CID 2313836
3-ethoxy-1-(3-methylphenyl)pentan-2-ol
CID 116711208

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol (CID 107308264) is 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol is CCOC(CC)C(O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol?
The InChIKey is MCNOTQHCPLUCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O2/c1-3-12(17-4-2)11(16)8-9-6-5-7-10(14)13(9)15/h5-7,11-12,16H,3-4,8H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol?
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol has a molecular weight of 277.19 g/mol, XLogP of 3.71, 6 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-ethoxypentan-2-ol is sourced from PubChem (CID 107308264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).