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

C11H14Cl2O — CID 60798287

IUPAC1-(2,4-dichlorophenyl)pentan-2-ol
SMILESCCCC(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O/c1-2-3-10(14)6-8-4-5-9(12)7-11(8)13/h4-5,7,10,14H,2-3,6H2,1H3
InChIKeyUFWYMMHSDIEFSP-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.70
Rot. Bonds4

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

1-(2,4-dichlorophenyl)pentan-2-ol (PubChem CID 60798287) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)pentan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)pentan-2-ol
PubChem CID60798287
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name1-(2,4-dichlorophenyl)pentan-2-ol
SMILESCCCC(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O/c1-2-3-10(14)6-8-4-5-9(12)7-11(8)13/h4-5,7,10,14H,2-3,6H2,1H3
InChIKeyUFWYMMHSDIEFSP-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2,4-dichlorophenyl)hex-5-yn-2-ol
CID 63657112
1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol
CID 63410443
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62529520
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)pentan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)pentan-2-ol (CID 60798287) is 1-(2,4-dichlorophenyl)pentan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)pentan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)pentan-2-ol is CCCC(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)pentan-2-ol?
The InChIKey is UFWYMMHSDIEFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-2-3-10(14)6-8-4-5-9(12)7-11(8)13/h4-5,7,10,14H,2-3,6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)pentan-2-ol?
1-(2,4-dichlorophenyl)pentan-2-ol has a molecular weight of 233.14 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)pentan-2-ol is sourced from PubChem (CID 60798287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).