1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol

C9H8Cl4O — CID 118455959

IUPAC1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol
SMILESCC(O)(c1ccc(Cl)cc1Cl)C(Cl)Cl
InChIInChI=1S/C9H8Cl4O/c1-9(14,8(12)13)6-3-2-5(10)4-7(6)11/h2-4,8,14H,1H3
InChIKeyYCMCCWCEZQTCMH-UHFFFAOYSA-N
MW273.97 g/mol
LogP4.00
Rot. Bonds2

About 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol

1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol (PubChem CID 118455959) has the molecular formula C9H8Cl4O and a molecular weight of 273.97 g/mol. Its IUPAC name is 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol
PubChem CID118455959
Molecular FormulaC9H8Cl4O
Molecular Weight273.97 g/mol
Exact Mass271.93
IUPAC Name1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol
SMILESCC(O)(c1ccc(Cl)cc1Cl)C(Cl)Cl
InChIInChI=1S/C9H8Cl4O/c1-9(14,8(12)13)6-3-2-5(10)4-7(6)11/h2-4,8,14H,1H3
InChIKeyYCMCCWCEZQTCMH-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.97
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol (CID 118455959) is 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol is CC(O)(c1ccc(Cl)cc1Cl)C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol?
The InChIKey is YCMCCWCEZQTCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl4O/c1-9(14,8(12)13)6-3-2-5(10)4-7(6)11/h2-4,8,14H,1H3.
What are the key properties of 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol?
1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol has a molecular weight of 273.97 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-(2,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 118455959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).