[3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate

C19H18O3 — CID 102032197

IUPAC[3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate
SMILESCOCc1ccccc1C#CC(OC(C)=O)c1ccccc1
InChIInChI=1S/C19H18O3/c1-15(20)22-19(17-9-4-3-5-10-17)13-12-16-8-6-7-11-18(16)14-21-2/h3-11,19H,14H2,1-2H3
InChIKeyZRJLRHILLVLPNU-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.49
Rot. Bonds4

About [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate

[3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate (PubChem CID 102032197) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate.

Molecular Properties

Compound Name[3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate
PubChem CID102032197
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name[3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate
SMILESCOCc1ccccc1C#CC(OC(C)=O)c1ccccc1
InChIInChI=1S/C19H18O3/c1-15(20)22-19(17-9-4-3-5-10-17)13-12-16-8-6-7-11-18(16)14-21-2/h3-11,19H,14H2,1-2H3
InChIKeyZRJLRHILLVLPNU-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene
CID 139455003
[1-(4-bromophenyl)-3-phenylprop-2-ynyl] acetate
CID 16752336
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
(4-acetyloxy-4-phenylbut-2-ynoxy)methyl acetate
CID 44827863
3-[4-[2-[2-(methoxymethyl)phenyl]ethynyl]phenyl]propanoic acid
CID 71562638
[3-phenyl-1-(3,4,5-trimethoxyphenyl)prop-2-ynyl] acetate
CID 25111612
[(1S,4R)-4-cyclohexyl-4-hydroxy-1-phenylbut-2-ynyl] acetate
CID 101414867
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
(4-morpholin-4-ium-4-yl-1-phenylbut-2-ynyl) acetate chloride
CID 21233695
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128

Frequently Asked Questions

What is the IUPAC name of [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate?
The IUPAC name of [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate (CID 102032197) is [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate.
What is the SMILES notation for [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate?
The canonical SMILES for [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate is COCc1ccccc1C#CC(OC(C)=O)c1ccccc1.
What is the InChIKey of [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate?
The InChIKey is ZRJLRHILLVLPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-15(20)22-19(17-9-4-3-5-10-17)13-12-16-8-6-7-11-18(16)14-21-2/h3-11,19H,14H2,1-2H3.
What are the key properties of [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate?
[3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate has a molecular weight of 294.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate is sourced from PubChem (CID 102032197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).