ethane;2-methylidene-3H-phenalen-1-one

C16H16O — CID 143157925

IUPACethane;2-methylidene-3H-phenalen-1-one
SMILESC=C1Cc2cccc3cccc(c23)C1=O.CC
InChIInChI=1S/C14H10O.C2H6/c1-9-8-11-6-2-4-10-5-3-7-12(13(10)11)14(9)15;1-2/h2-7H,1,8H2;1-2H3
InChIKeyUUBHSWZFWPBZFI-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.16
Rot. Bonds

About ethane;2-methylidene-3H-phenalen-1-one

ethane;2-methylidene-3H-phenalen-1-one (PubChem CID 143157925) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is ethane;2-methylidene-3H-phenalen-1-one.

Molecular Properties

Compound Nameethane;2-methylidene-3H-phenalen-1-one
PubChem CID143157925
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Nameethane;2-methylidene-3H-phenalen-1-one
SMILESC=C1Cc2cccc3cccc(c23)C1=O.CC
InChIInChI=1S/C14H10O.C2H6/c1-9-8-11-6-2-4-10-5-3-7-12(13(10)11)14(9)15;1-2/h2-7H,1,8H2;1-2H3
InChIKeyUUBHSWZFWPBZFI-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzo[a]phenalen-7-one;ethane
CID 90765972
5-methylidenepyren-4-one
CID 154595995
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one
CID 101074094
2-methylphenalen-1-one
CID 15695099
10H-anthracen-9-one;ethane;methanol
CID 90976205
2-benzofuran-1,3-dione;ethane;3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 167655999
2,3-ditert-butylphenalen-1-one
CID 118459958
2-methylidene-1,3-dihydrophenalen-3-ylium
CID 136803869
2,5-dihydropyrene-1,4-dione
CID 139489541
(2-chloro-3H-phenalen-1-yl) propanoate
CID 100922305
ethyl 2-(2H-acenaphthylen-1-ylidene)acetate
CID 70179131

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-3H-phenalen-1-one?
The IUPAC name of ethane;2-methylidene-3H-phenalen-1-one (CID 143157925) is ethane;2-methylidene-3H-phenalen-1-one.
What is the SMILES notation for ethane;2-methylidene-3H-phenalen-1-one?
The canonical SMILES for ethane;2-methylidene-3H-phenalen-1-one is C=C1Cc2cccc3cccc(c23)C1=O.CC.
What is the InChIKey of ethane;2-methylidene-3H-phenalen-1-one?
The InChIKey is UUBHSWZFWPBZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O.C2H6/c1-9-8-11-6-2-4-10-5-3-7-12(13(10)11)14(9)15;1-2/h2-7H,1,8H2;1-2H3.
What are the key properties of ethane;2-methylidene-3H-phenalen-1-one?
ethane;2-methylidene-3H-phenalen-1-one has a molecular weight of 224.30 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-3H-phenalen-1-one is sourced from PubChem (CID 143157925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).