2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol

C17H16Cl2O2 — CID 10782137

IUPAC2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol
SMILESOCCOCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O2/c18-15-5-1-13(2-6-15)17(9-11-21-12-10-20)14-3-7-16(19)8-4-14/h1-9,20H,10-12H2
InChIKeyGJQVJALCMKHKON-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.43
Rot. Bonds6

About 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol

2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol (PubChem CID 10782137) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol.

Molecular Properties

Compound Name2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol
PubChem CID10782137
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol
SMILESOCCOCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O2/c18-15-5-1-13(2-6-15)17(9-11-21-12-10-20)14-3-7-16(19)8-4-14/h1-9,20H,10-12H2
InChIKeyGJQVJALCMKHKON-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol?
The IUPAC name of 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol (CID 10782137) is 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol.
What is the SMILES notation for 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol?
The canonical SMILES for 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol is OCCOCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol?
The InChIKey is GJQVJALCMKHKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c18-15-5-1-13(2-6-15)17(9-11-21-12-10-20)14-3-7-16(19)8-4-14/h1-9,20H,10-12H2.
What are the key properties of 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol?
2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol has a molecular weight of 323.22 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(4-chlorophenyl)prop-2-enoxy]ethanol is sourced from PubChem (CID 10782137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).