2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol

C11H13Cl3O2 — CID 164893094

IUPAC2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1c(Cl)cccc1C(O)C(Cl)Cl
InChIInChI=1S/C11H13Cl3O2/c1-6(2)16-10-7(9(15)11(13)14)4-3-5-8(10)12/h3-6,9,11,15H,1-2H3
InChIKeyPAZACPFDNWTOFU-UHFFFAOYSA-N
MW283.58 g/mol
LogP3.96
Rot. Bonds4

About 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol

2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol (PubChem CID 164893094) has the molecular formula C11H13Cl3O2 and a molecular weight of 283.58 g/mol. Its IUPAC name is 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol
PubChem CID164893094
Molecular FormulaC11H13Cl3O2
Molecular Weight283.58 g/mol
Exact Mass282.00
IUPAC Name2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1c(Cl)cccc1C(O)C(Cl)Cl
InChIInChI=1S/C11H13Cl3O2/c1-6(2)16-10-7(9(15)11(13)14)4-3-5-8(10)12/h3-6,9,11,15H,1-2H3
InChIKeyPAZACPFDNWTOFU-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol
CID 164893818
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol
CID 164892155
3-bromo-1-(3-chloro-2-methoxyphenyl)propane-1,2-diol
CID 171861207
1-chloro-3-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methylbenzene
CID 107099070
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
3-chloro-1-(3-chloro-2-methylphenyl)propane-1,2-diol
CID 171861580
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
1-(3-bromo-2-methylphenyl)-2,2-dichloroethanol
CID 164892436
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol (CID 164893094) is 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol is CC(C)Oc1c(Cl)cccc1C(O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol?
The InChIKey is PAZACPFDNWTOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3O2/c1-6(2)16-10-7(9(15)11(13)14)4-3-5-8(10)12/h3-6,9,11,15H,1-2H3.
What are the key properties of 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol?
2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol has a molecular weight of 283.58 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 164893094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).