(E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol

C16H14Cl2O2 — CID 174340199

IUPAC(E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol
SMILESO/C(=C/COCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c17-14-7-6-13(10-15(14)18)16(19)8-9-20-11-12-4-2-1-3-5-12/h1-8,10,19H,9,11H2/b16-8+
InChIKeyHEDDEAHRHMOKJO-LZYBPNLTSA-N
MW309.19 g/mol
LogP5.11
Rot. Bonds5

About (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol

(E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol (PubChem CID 174340199) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol
PubChem CID174340199
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name(E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol
SMILESO/C(=C/COCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c17-14-7-6-13(10-15(14)18)16(19)8-9-20-11-12-4-2-1-3-5-12/h1-8,10,19H,9,11H2/b16-8+
InChIKeyHEDDEAHRHMOKJO-LZYBPNLTSA-N
XLogP5.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.19
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol (CID 174340199) is (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol is O/C(=C/COCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol?
The InChIKey is HEDDEAHRHMOKJO-LZYBPNLTSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-14-7-6-13(10-15(14)18)16(19)8-9-20-11-12-4-2-1-3-5-12/h1-8,10,19H,9,11H2/b16-8+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol?
(E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol has a molecular weight of 309.19 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dichlorophenyl)-3-phenylmethoxyprop-1-en-1-ol is sourced from PubChem (CID 174340199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).