formamide;methyl 2-(3-phenylphenyl)acetate

C16H17NO3 — CID 169199106

IUPACformamide;methyl 2-(3-phenylphenyl)acetate
SMILESCOC(=O)Cc1cccc(-c2ccccc2)c1.NC=O
InChIInChI=1S/C15H14O2.CH3NO/c1-17-15(16)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13;2-1-3/h2-10H,11H2,1H3;1H,(H2,2,3)
InChIKeyDYURJHFDECWUQD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.17
Rot. Bonds3

About formamide;methyl 2-(3-phenylphenyl)acetate

formamide;methyl 2-(3-phenylphenyl)acetate (PubChem CID 169199106) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is formamide;methyl 2-(3-phenylphenyl)acetate.

Molecular Properties

Compound Nameformamide;methyl 2-(3-phenylphenyl)acetate
PubChem CID169199106
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameformamide;methyl 2-(3-phenylphenyl)acetate
SMILESCOC(=O)Cc1cccc(-c2ccccc2)c1.NC=O
InChIInChI=1S/C15H14O2.CH3NO/c1-17-15(16)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13;2-1-3/h2-10H,11H2,1H3;1H,(H2,2,3)
InChIKeyDYURJHFDECWUQD-UHFFFAOYSA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(2-methoxy-2-oxoethyl)phenyl]phenyl]propanoic acid
CID 167840837
methyl 2-(3-thiophen-3-ylphenyl)acetate
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CID 172801156
CID 172801156
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate
CID 59219100
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-phenylacetate;pyridine
CID 22282999
1-amino-3-(3-phenylphenyl)propan-2-one
CID 161234923
methyl 2-[3-(methylsulfinylmethyl)phenyl]acetate
CID 144641102

Frequently Asked Questions

What is the IUPAC name of formamide;methyl 2-(3-phenylphenyl)acetate?
The IUPAC name of formamide;methyl 2-(3-phenylphenyl)acetate (CID 169199106) is formamide;methyl 2-(3-phenylphenyl)acetate.
What is the SMILES notation for formamide;methyl 2-(3-phenylphenyl)acetate?
The canonical SMILES for formamide;methyl 2-(3-phenylphenyl)acetate is COC(=O)Cc1cccc(-c2ccccc2)c1.NC=O.
What is the InChIKey of formamide;methyl 2-(3-phenylphenyl)acetate?
The InChIKey is DYURJHFDECWUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.CH3NO/c1-17-15(16)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13;2-1-3/h2-10H,11H2,1H3;1H,(H2,2,3).
What are the key properties of formamide;methyl 2-(3-phenylphenyl)acetate?
formamide;methyl 2-(3-phenylphenyl)acetate has a molecular weight of 271.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;methyl 2-(3-phenylphenyl)acetate is sourced from PubChem (CID 169199106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).