2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate

C17H16O2 — CID 59310285

IUPAC2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1Cc2cccc3cccc(c23)C1
InChIInChI=1S/C17H16O2/c1-11(2)17(18)19-15-9-13-7-3-5-12-6-4-8-14(10-15)16(12)13/h3-8,15H,1,9-10H2,2H3
InChIKeyWNYIHZDIXWACHJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.43
Rot. Bonds2

About 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate

2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate (PubChem CID 59310285) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate
PubChem CID59310285
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1Cc2cccc3cccc(c23)C1
InChIInChI=1S/C17H16O2/c1-11(2)17(18)19-15-9-13-7-3-5-12-6-4-8-14(10-15)16(12)13/h3-8,15H,1,9-10H2,2H3
InChIKeyWNYIHZDIXWACHJ-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate (CID 59310285) is 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1Cc2cccc3cccc(c23)C1.
What is the InChIKey of 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate?
The InChIKey is WNYIHZDIXWACHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11(2)17(18)19-15-9-13-7-3-5-12-6-4-8-14(10-15)16(12)13/h3-8,15H,1,9-10H2,2H3.
What are the key properties of 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate?
2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 59310285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).