2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol

C13H18Cl2O2 — CID 23039690

IUPAC2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol
SMILESCCCC(CO)(OCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-7-13(9-16,17-4-2)11-6-5-10(14)8-12(11)15/h5-6,8,16H,3-4,7,9H2,1-2H3
InChIKeyXDROQJIPODXCMY-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.02
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol

2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol (PubChem CID 23039690) has the molecular formula C13H18Cl2O2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol
PubChem CID23039690
Molecular FormulaC13H18Cl2O2
Molecular Weight277.19 g/mol
Exact Mass276.07
IUPAC Name2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol
SMILESCCCC(CO)(OCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-7-13(9-16,17-4-2)11-6-5-10(14)8-12(11)15/h5-6,8,16H,3-4,7,9H2,1-2H3
InChIKeyXDROQJIPODXCMY-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol
CID 23039737
2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
[2-(2,4-dichlorophenyl)-2-methoxypentyl] methanesulfonate
CID 23039678
3-(2,4-dichlorophenyl)-2-methylheptan-3-ol
CID 139474082
ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
CID 118647040
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
ethyl 3-(2,4-dichlorophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62399185
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713564
(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
ethyl 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanoate
CID 117049944

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol (CID 23039690) is 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol is CCCC(CO)(OCC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol?
The InChIKey is XDROQJIPODXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O2/c1-3-7-13(9-16,17-4-2)11-6-5-10(14)8-12(11)15/h5-6,8,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol?
2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol has a molecular weight of 277.19 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol is sourced from PubChem (CID 23039690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).