carbon dioxide;methyl 2-phenylacetate

C10H10O4 — CID 159198536

IUPACcarbon dioxide;methyl 2-phenylacetate
SMILESCOC(=O)Cc1ccccc1.O=C=O
InChIInChI=1S/C9H10O2.CO2/c1-11-9(10)7-8-5-3-2-4-6-8;2-1-3/h2-6H,7H2,1H3;
InChIKeyKOZCOMMJHYPATA-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.82
Rot. Bonds2

About carbon dioxide;methyl 2-phenylacetate

carbon dioxide;methyl 2-phenylacetate (PubChem CID 159198536) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is carbon dioxide;methyl 2-phenylacetate.

Molecular Properties

Compound Namecarbon dioxide;methyl 2-phenylacetate
PubChem CID159198536
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namecarbon dioxide;methyl 2-phenylacetate
SMILESCOC(=O)Cc1ccccc1.O=C=O
InChIInChI=1S/C9H10O2.CO2/c1-11-9(10)7-8-5-3-2-4-6-8;2-1-3/h2-6H,7H2,1H3;
InChIKeyKOZCOMMJHYPATA-UHFFFAOYSA-N
XLogP0.82
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172801156
CID 172801156
methyl 2-phenylacetate;pyridine
CID 22282999
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
bis(benzenecarbothioic S-acid);methyl 2-phenylacetate
CID 87890916
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
bis(methyl 2-phenoxyacetate);hexakis(methyl 2-phenylacetate);bis(2-phenylacetic acid)
CID 174488693
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
CID 10826221
3-(chloromethyl)aniline;methyl 2-phenylacetate
CID 18329589
methyl 2-[4-[(3-phenylpropylamino)methyl]phenyl]acetate
CID 66774988
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methyl 2-phenylacetate?
The IUPAC name of carbon dioxide;methyl 2-phenylacetate (CID 159198536) is carbon dioxide;methyl 2-phenylacetate.
What is the SMILES notation for carbon dioxide;methyl 2-phenylacetate?
The canonical SMILES for carbon dioxide;methyl 2-phenylacetate is COC(=O)Cc1ccccc1.O=C=O.
What is the InChIKey of carbon dioxide;methyl 2-phenylacetate?
The InChIKey is KOZCOMMJHYPATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.CO2/c1-11-9(10)7-8-5-3-2-4-6-8;2-1-3/h2-6H,7H2,1H3;.
What are the key properties of carbon dioxide;methyl 2-phenylacetate?
carbon dioxide;methyl 2-phenylacetate has a molecular weight of 194.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methyl 2-phenylacetate is sourced from PubChem (CID 159198536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).