(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate

C21H22O4 — CID 158634660

IUPAC(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
SMILESC=Cc1ccc(COC(C)=O)cc1.C=Cc1ccc(OC(C)=O)cc1
InChIInChI=1S/C11H12O2.C10H10O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12;1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1,8H2,2H3;3-7H,1H2,2H3
InChIKeyHZPUQIMFDUEHSK-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.65
Rot. Bonds5

About (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate

(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate (PubChem CID 158634660) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate.

Molecular Properties

Compound Name(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
PubChem CID158634660
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
SMILESC=Cc1ccc(COC(C)=O)cc1.C=Cc1ccc(OC(C)=O)cc1
InChIInChI=1S/C11H12O2.C10H10O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12;1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1,8H2,2H3;3-7H,1H2,2H3
InChIKeyHZPUQIMFDUEHSK-UHFFFAOYSA-N
XLogP4.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
(4-ethenylphenyl) acetate;oxirane
CID 158488844
[4-(1-hydroxyethenoxy)phenyl]methyl acetate
CID 59935011
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
CID 122625881
bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
CID 164789063
(4-ethenylphenyl) 2-oxopropanoate
CID 67863949
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
1-(4-ethenylphenyl)propan-2-one
CID 70398942
CID 90816966
CID 90816966
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
(4-acetyloxyphenyl)methoxy-methylphosphinic acid
CID 14959132

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate?
The IUPAC name of (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate (CID 158634660) is (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate.
What is the SMILES notation for (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate?
The canonical SMILES for (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate is C=Cc1ccc(COC(C)=O)cc1.C=Cc1ccc(OC(C)=O)cc1.
What is the InChIKey of (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate?
The InChIKey is HZPUQIMFDUEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C10H10O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12;1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1,8H2,2H3;3-7H,1H2,2H3.
What are the key properties of (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate?
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate has a molecular weight of 338.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate is sourced from PubChem (CID 158634660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).