(2-acetylphenyl) (2-formylphenyl) carbonate;ethene

C18H16O5 — CID 142249621

IUPAC(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
SMILESC=C.CC(=O)c1ccccc1OC(=O)Oc1ccccc1C=O
InChIInChI=1S/C16H12O5.C2H4/c1-11(18)13-7-3-5-9-15(13)21-16(19)20-14-8-4-2-6-12(14)10-17;1-2/h2-10H,1H3;1-2H2
InChIKeyZLLIPDVNSMSPPE-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.08
Rot. Bonds4

About (2-acetylphenyl) (2-formylphenyl) carbonate;ethene

(2-acetylphenyl) (2-formylphenyl) carbonate;ethene (PubChem CID 142249621) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is (2-acetylphenyl) (2-formylphenyl) carbonate;ethene.

Molecular Properties

Compound Name(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
PubChem CID142249621
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
SMILESC=C.CC(=O)c1ccccc1OC(=O)Oc1ccccc1C=O
InChIInChI=1S/C16H12O5.C2H4/c1-11(18)13-7-3-5-9-15(13)21-16(19)20-14-8-4-2-6-12(14)10-17;1-2/h2-10H,1H3;1-2H2
InChIKeyZLLIPDVNSMSPPE-UHFFFAOYSA-N
XLogP4.08
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-acetylphenyl) methyl carbonate
CID 14493761
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
(2-acetylphenyl) 3-methylbut-2-enoate
CID 86069754
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate
CID 54197243
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
3-acetyl-2-methoxybenzaldehyde
CID 148697874
(2-acetylphenyl) 2-bromoacetate
CID 58158821

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) (2-formylphenyl) carbonate;ethene?
The IUPAC name of (2-acetylphenyl) (2-formylphenyl) carbonate;ethene (CID 142249621) is (2-acetylphenyl) (2-formylphenyl) carbonate;ethene.
What is the SMILES notation for (2-acetylphenyl) (2-formylphenyl) carbonate;ethene?
The canonical SMILES for (2-acetylphenyl) (2-formylphenyl) carbonate;ethene is C=C.CC(=O)c1ccccc1OC(=O)Oc1ccccc1C=O.
What is the InChIKey of (2-acetylphenyl) (2-formylphenyl) carbonate;ethene?
The InChIKey is ZLLIPDVNSMSPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5.C2H4/c1-11(18)13-7-3-5-9-15(13)21-16(19)20-14-8-4-2-6-12(14)10-17;1-2/h2-10H,1H3;1-2H2.
What are the key properties of (2-acetylphenyl) (2-formylphenyl) carbonate;ethene?
(2-acetylphenyl) (2-formylphenyl) carbonate;ethene has a molecular weight of 312.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) (2-formylphenyl) carbonate;ethene is sourced from PubChem (CID 142249621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).