fluoranthen-1-yl prop-2-enoate

C19H12O2 — CID 164546686

IUPACfluoranthen-1-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccc2cccc3c2c1-c1ccccc1-3
InChIInChI=1S/C19H12O2/c1-2-17(20)21-16-11-10-12-6-5-9-14-13-7-3-4-8-15(13)19(16)18(12)14/h2-11H,1H2
InChIKeyVLMAWOHXYQJWIA-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.58
Rot. Bonds2

About fluoranthen-1-yl prop-2-enoate

fluoranthen-1-yl prop-2-enoate (PubChem CID 164546686) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is fluoranthen-1-yl prop-2-enoate.

Molecular Properties

Compound Namefluoranthen-1-yl prop-2-enoate
PubChem CID164546686
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Namefluoranthen-1-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccc2cccc3c2c1-c1ccccc1-3
InChIInChI=1S/C19H12O2/c1-2-17(20)21-16-11-10-12-6-5-9-14-13-7-3-4-8-15(13)19(16)18(12)14/h2-11H,1H2
InChIKeyVLMAWOHXYQJWIA-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.58
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 2-methylprop-2-enoate
CID 164546772
naphthalen-1-yl prop-2-enoate
CID 10192638
[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
CID 138480747
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
(2-methoxyphenyl) prop-2-enoate
CID 22987486
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
1-prop-2-enylfluoranthene
CID 173108316
[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141213941
[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate
CID 174954088
2-prop-2-enoyloxynaphthalene-1-sulfonic acid
CID 19032205
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613

Frequently Asked Questions

What is the IUPAC name of fluoranthen-1-yl prop-2-enoate?
The IUPAC name of fluoranthen-1-yl prop-2-enoate (CID 164546686) is fluoranthen-1-yl prop-2-enoate.
What is the SMILES notation for fluoranthen-1-yl prop-2-enoate?
The canonical SMILES for fluoranthen-1-yl prop-2-enoate is C=CC(=O)Oc1ccc2cccc3c2c1-c1ccccc1-3.
What is the InChIKey of fluoranthen-1-yl prop-2-enoate?
The InChIKey is VLMAWOHXYQJWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c1-2-17(20)21-16-11-10-12-6-5-9-14-13-7-3-4-8-15(13)19(16)18(12)14/h2-11H,1H2.
What are the key properties of fluoranthen-1-yl prop-2-enoate?
fluoranthen-1-yl prop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoranthen-1-yl prop-2-enoate is sourced from PubChem (CID 164546686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).