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

C14H20Cl2O — CID 55200196

IUPAC1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2O/c1-3-5-6-10(4-2)14(17)12-8-7-11(15)9-13(12)16/h7-10,14,17H,3-6H2,1-2H3
InChIKeyIEJVJFHLJUAZFL-UHFFFAOYSA-N
MW275.22 g/mol
LogP5.24
Rot. Bonds6

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

1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol (PubChem CID 55200196) has the molecular formula C14H20Cl2O and a molecular weight of 275.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
PubChem CID55200196
Molecular FormulaC14H20Cl2O
Molecular Weight275.22 g/mol
Exact Mass274.09
IUPAC Name1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2O/c1-3-5-6-10(4-2)14(17)12-8-7-11(15)9-13(12)16/h7-10,14,17H,3-6H2,1-2H3
InChIKeyIEJVJFHLJUAZFL-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.22
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
CID 82313293
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
CID 141179146
1-(3-chlorophenyl)-3-ethylheptan-2-ol
CID 63517929
1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
CID 114281101
1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol
CID 79730496
1-(5-chloro-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821957
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol (CID 55200196) is 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol is CCCCC(CC)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol?
The InChIKey is IEJVJFHLJUAZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O/c1-3-5-6-10(4-2)14(17)12-8-7-11(15)9-13(12)16/h7-10,14,17H,3-6H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol?
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol has a molecular weight of 275.22 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol is sourced from PubChem (CID 55200196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).