(4-ethenylphenyl)methyl 2-phenylacetate

C17H16O2 — CID 164760837

IUPAC(4-ethenylphenyl)methyl 2-phenylacetate
SMILESC=Cc1ccc(COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-2-14-8-10-16(11-9-14)13-19-17(18)12-15-6-4-3-5-7-15/h2-11H,1,12-13H2
InChIKeyDUUKHHKTZXKFJV-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.62
Rot. Bonds5

About (4-ethenylphenyl)methyl 2-phenylacetate

(4-ethenylphenyl)methyl 2-phenylacetate (PubChem CID 164760837) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 2-phenylacetate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 2-phenylacetate
PubChem CID164760837
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(4-ethenylphenyl)methyl 2-phenylacetate
SMILESC=Cc1ccc(COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-2-14-8-10-16(11-9-14)13-19-17(18)12-15-6-4-3-5-7-15/h2-11H,1,12-13H2
InChIKeyDUUKHHKTZXKFJV-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethenylphenyl)methyl 5-phenylpentanoate
CID 102362530
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
(2S)-2-amino-4-[(4-ethenylphenyl)methoxy]-4-oxobutanoic acid
CID 102125035
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
benzyl but-3-enoate
CID 11019385
benzyl (3R)-3-hydroxypent-4-enoate
CID 101049169
benzyl (3S)-3-hydroxypent-4-enoate
CID 141136678
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid
CID 67951060
benzyl 2-(3,4-dihydroxyphenyl)acetate
CID 155541666
benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate
CID 140798878
ethyl 2-phenylacetate
CID 7590

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 2-phenylacetate?
The IUPAC name of (4-ethenylphenyl)methyl 2-phenylacetate (CID 164760837) is (4-ethenylphenyl)methyl 2-phenylacetate.
What is the SMILES notation for (4-ethenylphenyl)methyl 2-phenylacetate?
The canonical SMILES for (4-ethenylphenyl)methyl 2-phenylacetate is C=Cc1ccc(COC(=O)Cc2ccccc2)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 2-phenylacetate?
The InChIKey is DUUKHHKTZXKFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-14-8-10-16(11-9-14)13-19-17(18)12-15-6-4-3-5-7-15/h2-11H,1,12-13H2.
What are the key properties of (4-ethenylphenyl)methyl 2-phenylacetate?
(4-ethenylphenyl)methyl 2-phenylacetate has a molecular weight of 252.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 2-phenylacetate is sourced from PubChem (CID 164760837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).