acetylene;methoxymethane;methyl 3-phenylpropanoate

C16H22O3 — CID 142087261

IUPACacetylene;methoxymethane;methyl 3-phenylpropanoate
SMILESC#C.C#C.COC.COC(=O)CCc1ccccc1
InChIInChI=1S/C10H12O2.C2H6O.2C2H2/c1-12-10(11)8-7-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-6H,7-8H2,1H3;1-2H3;2*1-2H
InChIKeyYIDCEDDHRFRWAV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.55
Rot. Bonds3

About acetylene;methoxymethane;methyl 3-phenylpropanoate

acetylene;methoxymethane;methyl 3-phenylpropanoate (PubChem CID 142087261) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is acetylene;methoxymethane;methyl 3-phenylpropanoate.

Molecular Properties

Compound Nameacetylene;methoxymethane;methyl 3-phenylpropanoate
PubChem CID142087261
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameacetylene;methoxymethane;methyl 3-phenylpropanoate
SMILESC#C.C#C.COC.COC(=O)CCc1ccccc1
InChIInChI=1S/C10H12O2.C2H6O.2C2H2/c1-12-10(11)8-7-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-6H,7-8H2,1H3;1-2H3;2*1-2H
InChIKeyYIDCEDDHRFRWAV-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
benzamide;methyl 3-phenylpropanoate
CID 154677392
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
CID 70464798
CID 70464798
propanoyl 3-phenylpropanoate
CID 19437711
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580

Frequently Asked Questions

What is the IUPAC name of acetylene;methoxymethane;methyl 3-phenylpropanoate?
The IUPAC name of acetylene;methoxymethane;methyl 3-phenylpropanoate (CID 142087261) is acetylene;methoxymethane;methyl 3-phenylpropanoate.
What is the SMILES notation for acetylene;methoxymethane;methyl 3-phenylpropanoate?
The canonical SMILES for acetylene;methoxymethane;methyl 3-phenylpropanoate is C#C.C#C.COC.COC(=O)CCc1ccccc1.
What is the InChIKey of acetylene;methoxymethane;methyl 3-phenylpropanoate?
The InChIKey is YIDCEDDHRFRWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C2H6O.2C2H2/c1-12-10(11)8-7-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-6H,7-8H2,1H3;1-2H3;2*1-2H.
What are the key properties of acetylene;methoxymethane;methyl 3-phenylpropanoate?
acetylene;methoxymethane;methyl 3-phenylpropanoate has a molecular weight of 262.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;methoxymethane;methyl 3-phenylpropanoate is sourced from PubChem (CID 142087261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).