(E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol

C17H18O2 — CID 11780061

IUPAC(E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol
SMILESCCO/C=C/C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-2-19-14-13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3/b14-13+
InChIKeyIDMGXJKCRNIXEV-BUHFOSPRSA-N
MW254.33 g/mol
LogP3.47
Rot. Bonds5

About (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol

(E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol (PubChem CID 11780061) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol
PubChem CID11780061
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol
SMILESCCO/C=C/C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-2-19-14-13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3/b14-13+
InChIKeyIDMGXJKCRNIXEV-BUHFOSPRSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol?
The IUPAC name of (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol (CID 11780061) is (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol?
The canonical SMILES for (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol is CCO/C=C/C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol?
The InChIKey is IDMGXJKCRNIXEV-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-19-14-13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3/b14-13+.
What are the key properties of (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol?
(E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethoxy-1,1-diphenylprop-2-en-1-ol is sourced from PubChem (CID 11780061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).