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

C16H24Cl2O — CID 63410443

IUPAC1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol
SMILESCCCCC(CC)CC(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2O/c1-3-5-6-12(4-2)9-15(19)10-13-7-8-14(17)11-16(13)18/h7-8,11-12,15,19H,3-6,9-10H2,1-2H3
InChIKeySRQMYVONEIWKRJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP5.50
Rot. Bonds8

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

1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol (PubChem CID 63410443) has the molecular formula C16H24Cl2O and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol
PubChem CID63410443
Molecular FormulaC16H24Cl2O
Molecular Weight303.27 g/mol
Exact Mass302.12
IUPAC Name1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol
SMILESCCCCC(CC)CC(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2O/c1-3-5-6-12(4-2)9-15(19)10-13-7-8-14(17)11-16(13)18/h7-8,11-12,15,19H,3-6,9-10H2,1-2H3
InChIKeySRQMYVONEIWKRJ-UHFFFAOYSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.27
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
1-(2,4-dichlorophenyl)hex-5-yn-2-ol
CID 63657112
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381
4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
4-ethyl-1-naphthalen-2-yloctan-2-ol
CID 105080592
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol (CID 63410443) is 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol is CCCCC(CC)CC(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol?
The InChIKey is SRQMYVONEIWKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2O/c1-3-5-6-12(4-2)9-15(19)10-13-7-8-14(17)11-16(13)18/h7-8,11-12,15,19H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol?
1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol has a molecular weight of 303.27 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol is sourced from PubChem (CID 63410443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).