(4-ethenylphenyl) acetate;oxophosphane

C10H11O3P — CID 175041738

IUPAC(4-ethenylphenyl) acetate;oxophosphane
SMILESC=Cc1ccc(OC(C)=O)cc1.O=P
InChIInChI=1S/C10H10O2.HOP/c1-3-9-4-6-10(7-5-9)12-8(2)11;1-2/h3-7H,1H2,2H3;2H
InChIKeyPOPWZTRRTOZQBR-UHFFFAOYSA-N
MW210.17 g/mol
LogP2.73
Rot. Bonds2

About (4-ethenylphenyl) acetate;oxophosphane

(4-ethenylphenyl) acetate;oxophosphane (PubChem CID 175041738) has the molecular formula C10H11O3P and a molecular weight of 210.17 g/mol. Its IUPAC name is (4-ethenylphenyl) acetate;oxophosphane.

Molecular Properties

Compound Name(4-ethenylphenyl) acetate;oxophosphane
PubChem CID175041738
Molecular FormulaC10H11O3P
Molecular Weight210.17 g/mol
Exact Mass210.04
IUPAC Name(4-ethenylphenyl) acetate;oxophosphane
SMILESC=Cc1ccc(OC(C)=O)cc1.O=P
InChIInChI=1S/C10H10O2.HOP/c1-3-9-4-6-10(7-5-9)12-8(2)11;1-2/h3-7H,1H2,2H3;2H
InChIKeyPOPWZTRRTOZQBR-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-ethenylphenyl) acetate;oxirane
CID 158488844
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
(4-ethenylphenyl) 2-oxopropanoate
CID 67863949
(2-acetyloxy-4-ethenylphenyl) acetate
CID 11401740
(4-ethenylphenyl) 4-oxopentanoate
CID 59301728
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
[4-(2,2-dichloroethenyl)phenyl] acetate
CID 13287855
(4-ethenyl-3-hydroxyphenyl) acetate
CID 130034523
[4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 6767
[4-[(2Z,4E)-4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 24884313
tetrakis([4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate);bis(palladium)
CID 173130070
(Z)-4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934916

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl) acetate;oxophosphane?
The IUPAC name of (4-ethenylphenyl) acetate;oxophosphane (CID 175041738) is (4-ethenylphenyl) acetate;oxophosphane.
What is the SMILES notation for (4-ethenylphenyl) acetate;oxophosphane?
The canonical SMILES for (4-ethenylphenyl) acetate;oxophosphane is C=Cc1ccc(OC(C)=O)cc1.O=P.
What is the InChIKey of (4-ethenylphenyl) acetate;oxophosphane?
The InChIKey is POPWZTRRTOZQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.HOP/c1-3-9-4-6-10(7-5-9)12-8(2)11;1-2/h3-7H,1H2,2H3;2H.
What are the key properties of (4-ethenylphenyl) acetate;oxophosphane?
(4-ethenylphenyl) acetate;oxophosphane has a molecular weight of 210.17 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) acetate;oxophosphane is sourced from PubChem (CID 175041738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).