2-(2,4-dichlorophenyl)pentan-3-ol

C11H14Cl2O — CID 79297929

IUPAC2-(2,4-dichlorophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13/h4-7,11,14H,3H2,1-2H3
InChIKeySJJLFNCLZNLOLB-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.87
Rot. Bonds3

About 2-(2,4-dichlorophenyl)pentan-3-ol

2-(2,4-dichlorophenyl)pentan-3-ol (PubChem CID 79297929) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)pentan-3-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)pentan-3-ol
PubChem CID79297929
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name2-(2,4-dichlorophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13/h4-7,11,14H,3H2,1-2H3
InChIKeySJJLFNCLZNLOLB-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)pentan-3-ol
CID 82781712
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
2-(2,4-dichlorophenyl)hexan-3-amine
CID 83048374
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
2-(2,5-difluorophenyl)pentan-3-ol
CID 79299015
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
3-(2,4-dichlorophenyl)-2-methylbutanethioamide
CID 83928346
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)pentan-3-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)pentan-3-ol (CID 79297929) is 2-(2,4-dichlorophenyl)pentan-3-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)pentan-3-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)pentan-3-ol is CCC(O)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)pentan-3-ol?
The InChIKey is SJJLFNCLZNLOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13/h4-7,11,14H,3H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)pentan-3-ol?
2-(2,4-dichlorophenyl)pentan-3-ol has a molecular weight of 233.14 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)pentan-3-ol is sourced from PubChem (CID 79297929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).