2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate

C20H18O3 — CID 42624934

IUPAC2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate
SMILESC=C(COCc1ccccc1)COC(=O)C#Cc1ccccc1
InChIInChI=1S/C20H18O3/c1-17(14-22-16-19-10-6-3-7-11-19)15-23-20(21)13-12-18-8-4-2-5-9-18/h2-11H,1,14-16H2
InChIKeyMPZKYLMSZDNTIW-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.35
Rot. Bonds6

About 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate

2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate (PubChem CID 42624934) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate
PubChem CID42624934
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate
SMILESC=C(COCc1ccccc1)COC(=O)C#Cc1ccccc1
InChIInChI=1S/C20H18O3/c1-17(14-22-16-19-10-6-3-7-11-19)15-23-20(21)13-12-18-8-4-2-5-9-18/h2-11H,1,14-16H2
InChIKeyMPZKYLMSZDNTIW-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-benzyltriazol-4-yl)methyl 3-phenylprop-2-ynoate
CID 135031356
4-(3-phenylprop-2-ynoyloxy)butyl 3-phenylprop-2-ynoate
CID 2755244
[2-(4-fluorophenyl)-2-oxoethyl] 3-phenylprop-2-ynoate
CID 102518021
benzyl 3-hydroxyprop-2-ynoate
CID 174801498
3-phenylprop-2-ynyl 3-(3-phenylmethoxyphenyl)prop-2-ynoate
CID 19751558
butyl 3-phenylprop-2-ynoate
CID 11769566
1-(methylamino)-3-phenylmethoxypropan-2-one
CID 143048834
2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074338
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
naphthalen-1-ylmethyl 3-phenylprop-2-ynoate
CID 14782739
(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol
CID 25105110
4-methylidene-1-phenylmethoxyheptan-2-one
CID 163622001

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate?
The IUPAC name of 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate (CID 42624934) is 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate.
What is the SMILES notation for 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate?
The canonical SMILES for 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate is C=C(COCc1ccccc1)COC(=O)C#Cc1ccccc1.
What is the InChIKey of 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate?
The InChIKey is MPZKYLMSZDNTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-17(14-22-16-19-10-6-3-7-11-19)15-23-20(21)13-12-18-8-4-2-5-9-18/h2-11H,1,14-16H2.
What are the key properties of 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate?
2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate has a molecular weight of 306.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate is sourced from PubChem (CID 42624934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).