fluoranthen-1-yl 2-methylprop-2-enoate

C20H14O2 — CID 164546772

IUPACfluoranthen-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2cccc3c2c1-c1ccccc1-3
InChIInChI=1S/C20H14O2/c1-12(2)20(21)22-17-11-10-13-6-5-9-15-14-7-3-4-8-16(14)19(17)18(13)15/h3-11H,1H2,2H3
InChIKeyPOVZXEDOTDRJHM-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.97
Rot. Bonds2

About fluoranthen-1-yl 2-methylprop-2-enoate

fluoranthen-1-yl 2-methylprop-2-enoate (PubChem CID 164546772) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is fluoranthen-1-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namefluoranthen-1-yl 2-methylprop-2-enoate
PubChem CID164546772
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Namefluoranthen-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2cccc3c2c1-c1ccccc1-3
InChIInChI=1S/C20H14O2/c1-12(2)20(21)22-17-11-10-13-6-5-9-15-14-7-3-4-8-16(14)19(17)18(13)15/h3-11H,1H2,2H3
InChIKeyPOVZXEDOTDRJHM-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.97
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'}

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Related Compounds

fluoranthen-1-yl prop-2-enoate
CID 164546686
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(9-anthracen-1-ylanthracen-1-yl) 2-methylprop-2-enoate
CID 155226956
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141213941
[(7S)-7-cyclopentylbenzo[a]phenalen-7-yl] 2-methylprop-2-enoate
CID 130411370
[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
CID 138567323
[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54525389
(7-methylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;nitromethane
CID 160961559
(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
CID 139613270

Frequently Asked Questions

What is the IUPAC name of fluoranthen-1-yl 2-methylprop-2-enoate?
The IUPAC name of fluoranthen-1-yl 2-methylprop-2-enoate (CID 164546772) is fluoranthen-1-yl 2-methylprop-2-enoate.
What is the SMILES notation for fluoranthen-1-yl 2-methylprop-2-enoate?
The canonical SMILES for fluoranthen-1-yl 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2cccc3c2c1-c1ccccc1-3.
What is the InChIKey of fluoranthen-1-yl 2-methylprop-2-enoate?
The InChIKey is POVZXEDOTDRJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-12(2)20(21)22-17-11-10-13-6-5-9-15-14-7-3-4-8-16(14)19(17)18(13)15/h3-11H,1H2,2H3.
What are the key properties of fluoranthen-1-yl 2-methylprop-2-enoate?
fluoranthen-1-yl 2-methylprop-2-enoate has a molecular weight of 286.33 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoranthen-1-yl 2-methylprop-2-enoate is sourced from PubChem (CID 164546772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).