phenyl prop-2-enoate;triphenylene

C27H20O2 — CID 159225619

IUPACphenyl prop-2-enoate;triphenylene
SMILESC=CC(=O)Oc1ccccc1.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C9H8O2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-9(10)11-8-6-4-3-5-7-8/h1-12H;2-7H,1H2
InChIKeyKSGAIJYUFDXHEJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.92
Rot. Bonds2

About phenyl prop-2-enoate;triphenylene

phenyl prop-2-enoate;triphenylene (PubChem CID 159225619) has the molecular formula C27H20O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is phenyl prop-2-enoate;triphenylene.

Molecular Properties

Compound Namephenyl prop-2-enoate;triphenylene
PubChem CID159225619
Molecular FormulaC27H20O2
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Namephenyl prop-2-enoate;triphenylene
SMILESC=CC(=O)Oc1ccccc1.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C9H8O2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-9(10)11-8-6-4-3-5-7-8/h1-12H;2-7H,1H2
InChIKeyKSGAIJYUFDXHEJ-UHFFFAOYSA-N
XLogP6.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
oxirane;phenyl prop-2-enoate
CID 87443709
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
[4-[[4-anilino-6-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]anilino]-1,3,5-triazin-2-yl]amino]phenyl] prop-2-enoate
CID 155065684
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
buta-1,3-diene;diphenyl carbonate
CID 87173366
phenyl prop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 175166884
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
naphthalen-1-yl prop-2-enoate
CID 10192638

Frequently Asked Questions

What is the IUPAC name of phenyl prop-2-enoate;triphenylene?
The IUPAC name of phenyl prop-2-enoate;triphenylene (CID 159225619) is phenyl prop-2-enoate;triphenylene.
What is the SMILES notation for phenyl prop-2-enoate;triphenylene?
The canonical SMILES for phenyl prop-2-enoate;triphenylene is C=CC(=O)Oc1ccccc1.c1ccc2c(c1)c1ccccc1c1ccccc21.
What is the InChIKey of phenyl prop-2-enoate;triphenylene?
The InChIKey is KSGAIJYUFDXHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C9H8O2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-9(10)11-8-6-4-3-5-7-8/h1-12H;2-7H,1H2.
What are the key properties of phenyl prop-2-enoate;triphenylene?
phenyl prop-2-enoate;triphenylene has a molecular weight of 376.46 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl prop-2-enoate;triphenylene is sourced from PubChem (CID 159225619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).