2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol

C17H17ClO2 — CID 21266321

IUPAC2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol
SMILESOCCOC/C=C(/c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClO2/c18-16-8-4-7-15(13-16)17(9-11-20-12-10-19)14-5-2-1-3-6-14/h1-9,13,19H,10-12H2/b17-9-
InChIKeyDTLYLMFBUAJUOY-MFOYZWKCSA-N
MW288.77 g/mol
LogP3.78
Rot. Bonds6

About 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol

2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol (PubChem CID 21266321) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol.

Molecular Properties

Compound Name2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol
PubChem CID21266321
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol
SMILESOCCOC/C=C(/c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClO2/c18-16-8-4-7-15(13-16)17(9-11-20-12-10-19)14-5-2-1-3-6-14/h1-9,13,19H,10-12H2/b17-9-
InChIKeyDTLYLMFBUAJUOY-MFOYZWKCSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 53.78
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-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol?
The IUPAC name of 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol (CID 21266321) is 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol.
What is the SMILES notation for 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol?
The canonical SMILES for 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol is OCCOC/C=C(/c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol?
The InChIKey is DTLYLMFBUAJUOY-MFOYZWKCSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-16-8-4-7-15(13-16)17(9-11-20-12-10-19)14-5-2-1-3-6-14/h1-9,13,19H,10-12H2/b17-9-.
What are the key properties of 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol?
2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol has a molecular weight of 288.77 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enoxy]ethanol is sourced from PubChem (CID 21266321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).