(3-phenoxy-3-phenylprop-1-enyl) formate

C16H14O3 — CID 57042245

IUPAC(3-phenoxy-3-phenylprop-1-enyl) formate
SMILESO=COC=CC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O3/c17-13-18-12-11-16(14-7-3-1-4-8-14)19-15-9-5-2-6-10-15/h1-13,16H
InChIKeyJQOZRHFQLYJACV-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.49
Rot. Bonds6

About (3-phenoxy-3-phenylprop-1-enyl) formate

(3-phenoxy-3-phenylprop-1-enyl) formate (PubChem CID 57042245) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (3-phenoxy-3-phenylprop-1-enyl) formate.

Molecular Properties

Compound Name(3-phenoxy-3-phenylprop-1-enyl) formate
PubChem CID57042245
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(3-phenoxy-3-phenylprop-1-enyl) formate
SMILESO=COC=CC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O3/c17-13-18-12-11-16(14-7-3-1-4-8-14)19-15-9-5-2-6-10-15/h1-13,16H
InChIKeyJQOZRHFQLYJACV-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1,3-diphenylprop-2-enoxy]benzene
CID 11289166
1-phenoxyprop-2-enylbenzene
CID 11735962
3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
CID 7343496
2-phenoxypropanedial
CID 54237008
1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene
CID 177454305
propan-2-yl formate;propan-2-yloxybenzene
CID 175545424
formyl formate;naphthalene;hydrobromide
CID 174587967
2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde
CID 91405361
[iodo(phenoxy)methyl]benzene
CID 54113161
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
λ2-plumbane;phenyl formate
CID 174910364
(2R)-2-phenyl-2-propan-2-yloxyacetaldehyde
CID 124578012

Frequently Asked Questions

What is the IUPAC name of (3-phenoxy-3-phenylprop-1-enyl) formate?
The IUPAC name of (3-phenoxy-3-phenylprop-1-enyl) formate (CID 57042245) is (3-phenoxy-3-phenylprop-1-enyl) formate.
What is the SMILES notation for (3-phenoxy-3-phenylprop-1-enyl) formate?
The canonical SMILES for (3-phenoxy-3-phenylprop-1-enyl) formate is O=COC=CC(Oc1ccccc1)c1ccccc1.
What is the InChIKey of (3-phenoxy-3-phenylprop-1-enyl) formate?
The InChIKey is JQOZRHFQLYJACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-13-18-12-11-16(14-7-3-1-4-8-14)19-15-9-5-2-6-10-15/h1-13,16H.
What are the key properties of (3-phenoxy-3-phenylprop-1-enyl) formate?
(3-phenoxy-3-phenylprop-1-enyl) formate has a molecular weight of 254.29 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxy-3-phenylprop-1-enyl) formate is sourced from PubChem (CID 57042245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).