2,3-dihydrophenanthrene-9,10-dione;ethane

C16H16O2 — CID 143477541

IUPAC2,3-dihydrophenanthrene-9,10-dione;ethane
SMILESCC.O=C1C(=O)c2ccccc2C2=CCCC=C12
InChIInChI=1S/C14H10O2.C2H6/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;1-2/h1,3,5-8H,2,4H2;1-2H3
InChIKeyJAZWFOPZRTURHW-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.58
Rot. Bonds

About 2,3-dihydrophenanthrene-9,10-dione;ethane

2,3-dihydrophenanthrene-9,10-dione;ethane (PubChem CID 143477541) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,3-dihydrophenanthrene-9,10-dione;ethane.

Molecular Properties

Compound Name2,3-dihydrophenanthrene-9,10-dione;ethane
PubChem CID143477541
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2,3-dihydrophenanthrene-9,10-dione;ethane
SMILESCC.O=C1C(=O)c2ccccc2C2=CCCC=C12
InChIInChI=1S/C14H10O2.C2H6/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;1-2/h1,3,5-8H,2,4H2;1-2H3
InChIKeyJAZWFOPZRTURHW-UHFFFAOYSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

phenanthrene-9,10-dione
CID 6763
3,10-dihydro-2H-phenanthren-9-one
CID 154087651
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
CID 118898551
CID 118898551
ethane;bis(fluoren-9-one);methanol
CID 162250310
CID 158261979
CID 158261979
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
anthracene-9,10-dione;propane
CID 162068050
3,9-dihydro-2H-fluorene;ethane
CID 142275666

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrophenanthrene-9,10-dione;ethane?
The IUPAC name of 2,3-dihydrophenanthrene-9,10-dione;ethane (CID 143477541) is 2,3-dihydrophenanthrene-9,10-dione;ethane.
What is the SMILES notation for 2,3-dihydrophenanthrene-9,10-dione;ethane?
The canonical SMILES for 2,3-dihydrophenanthrene-9,10-dione;ethane is CC.O=C1C(=O)c2ccccc2C2=CCCC=C12.
What is the InChIKey of 2,3-dihydrophenanthrene-9,10-dione;ethane?
The InChIKey is JAZWFOPZRTURHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.C2H6/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;1-2/h1,3,5-8H,2,4H2;1-2H3.
What are the key properties of 2,3-dihydrophenanthrene-9,10-dione;ethane?
2,3-dihydrophenanthrene-9,10-dione;ethane has a molecular weight of 240.30 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrophenanthrene-9,10-dione;ethane is sourced from PubChem (CID 143477541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).