2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol

C10H12Cl2O2 — CID 19598878

IUPAC2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol
SMILESOCC(Cl)c1ccc(C(Cl)CO)cc1
InChIInChI=1S/C10H12Cl2O2/c11-9(5-13)7-1-2-8(4-3-7)10(12)6-14/h1-4,9-10,13-14H,5-6H2
InChIKeyWNRYPJXETHXXPL-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol

2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol (PubChem CID 19598878) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol
PubChem CID19598878
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol
SMILESOCC(Cl)c1ccc(C(Cl)CO)cc1
InChIInChI=1S/C10H12Cl2O2/c11-9(5-13)7-1-2-8(4-3-7)10(12)6-14/h1-4,9-10,13-14H,5-6H2
InChIKeyWNRYPJXETHXXPL-UHFFFAOYSA-N
XLogP2.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol?
The IUPAC name of 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol (CID 19598878) is 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol.
What is the SMILES notation for 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol?
The canonical SMILES for 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol is OCC(Cl)c1ccc(C(Cl)CO)cc1.
What is the InChIKey of 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol?
The InChIKey is WNRYPJXETHXXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c11-9(5-13)7-1-2-8(4-3-7)10(12)6-14/h1-4,9-10,13-14H,5-6H2.
What are the key properties of 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol?
2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol has a molecular weight of 235.11 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol is sourced from PubChem (CID 19598878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).