1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol

C13H18Cl2O2 — CID 116713564

IUPAC1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol
SMILESCCOC(C)(C)C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2O2/c1-4-17-13(2,3)12(16)7-9-5-6-10(14)8-11(9)15/h5-6,8,12,16H,4,7H2,1-3H3
InChIKeyAWFVVZOZAFQESA-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.71
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol

1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol (PubChem CID 116713564) has the molecular formula C13H18Cl2O2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol
PubChem CID116713564
Molecular FormulaC13H18Cl2O2
Molecular Weight277.19 g/mol
Exact Mass276.07
IUPAC Name1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol
SMILESCCOC(C)(C)C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2O2/c1-4-17-13(2,3)12(16)7-9-5-6-10(14)8-11(9)15/h5-6,8,12,16H,4,7H2,1-3H3
InChIKeyAWFVVZOZAFQESA-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
1-(2,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
CID 79062622
3-(2,4-dichlorophenyl)-1,1-diethoxypropan-2-ol
CID 79496239
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381
1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197770
1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol
CID 116713638
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol (CID 116713564) is 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol is CCOC(C)(C)C(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol?
The InChIKey is AWFVVZOZAFQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O2/c1-4-17-13(2,3)12(16)7-9-5-6-10(14)8-11(9)15/h5-6,8,12,16H,4,7H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol?
1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol has a molecular weight of 277.19 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol is sourced from PubChem (CID 116713564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).