1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol

C11H11Cl5O — CID 19763618

IUPAC1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol
SMILESOC(CCl)(CC(Cl)CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl5O/c12-5-8(15)4-11(17,6-13)9-2-1-7(14)3-10(9)16/h1-3,8,17H,4-6H2
InChIKeyQJTGQCDJNRYXFU-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.66
Rot. Bonds5

About 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol

1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol (PubChem CID 19763618) has the molecular formula C11H11Cl5O and a molecular weight of 336.47 g/mol. Its IUPAC name is 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol.

Molecular Properties

Compound Name1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol
PubChem CID19763618
Molecular FormulaC11H11Cl5O
Molecular Weight336.47 g/mol
Exact Mass333.93
IUPAC Name1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol
SMILESOC(CCl)(CC(Cl)CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl5O/c12-5-8(15)4-11(17,6-13)9-2-1-7(14)3-10(9)16/h1-3,8,17H,4-6H2
InChIKeyQJTGQCDJNRYXFU-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(2,4-dichlorophenyl)pent-4-yn-2-ol
CID 13259983
1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol
CID 19086773
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
5-chloro-4-(2,4-dichlorophenyl)pent-2-yne-1,4-diol
CID 71338635
1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol
CID 121222745
1-chloro-2-(2,4-dichlorophenyl)-5-(2,2,2-trifluoroethoxy)pent-3-yn-2-ol
CID 150715278
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
1,3-dichloro-2-(4-chlorophenyl)propan-2-ol
CID 12784612
3-(2,4-dichlorophenyl)-2-methylheptan-3-ol
CID 139474082
(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid
CID 118141013
CID 69435849
CID 69435849

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol?
The IUPAC name of 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol (CID 19763618) is 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol.
What is the SMILES notation for 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol?
The canonical SMILES for 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol is OC(CCl)(CC(Cl)CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol?
The InChIKey is QJTGQCDJNRYXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl5O/c12-5-8(15)4-11(17,6-13)9-2-1-7(14)3-10(9)16/h1-3,8,17H,4-6H2.
What are the key properties of 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol?
1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol has a molecular weight of 336.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol is sourced from PubChem (CID 19763618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).