benzo[a]phenalen-7-one;ethane

C23H28O — CID 90765972

IUPACbenzo[a]phenalen-7-one;ethane
SMILESCC.CC.CC.O=C1c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C17H10O.3C2H6/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13;3*1-2/h1-10H;3*1-2H3
InChIKeyZKGJTKFJPTVXLI-UHFFFAOYSA-N
MW320.48 g/mol
LogP7.13
Rot. Bonds

About benzo[a]phenalen-7-one;ethane

benzo[a]phenalen-7-one;ethane (PubChem CID 90765972) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is benzo[a]phenalen-7-one;ethane.

Molecular Properties

Compound Namebenzo[a]phenalen-7-one;ethane
PubChem CID90765972
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Namebenzo[a]phenalen-7-one;ethane
SMILESCC.CC.CC.O=C1c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C17H10O.3C2H6/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13;3*1-2/h1-10H;3*1-2H3
InChIKeyZKGJTKFJPTVXLI-UHFFFAOYSA-N
XLogP7.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
benzo[a]phenalen-7-one;2-[bis(2-hydroxyethyl)amino]ethanol
CID 70501506
fluoranthene
CID 139203734
ethane;fluoranthene;triphenylene
CID 160720447
ethane;bis(fluoren-9-one);methanol
CID 162250310
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
ethane;fluoranthene;3-methylpentane
CID 90824236
2-ethylbenzo[b]phenalen-7-one
CID 163449460
2-hydroxybenzo[b]phenalen-7-one
CID 11242034
9-bromobenzo[a]phenalen-7-one
CID 118565290
benzo[k]fluoranthene;ethane
CID 142369852
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148

Frequently Asked Questions

What is the IUPAC name of benzo[a]phenalen-7-one;ethane?
The IUPAC name of benzo[a]phenalen-7-one;ethane (CID 90765972) is benzo[a]phenalen-7-one;ethane.
What is the SMILES notation for benzo[a]phenalen-7-one;ethane?
The canonical SMILES for benzo[a]phenalen-7-one;ethane is CC.CC.CC.O=C1c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of benzo[a]phenalen-7-one;ethane?
The InChIKey is ZKGJTKFJPTVXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O.3C2H6/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13;3*1-2/h1-10H;3*1-2H3.
What are the key properties of benzo[a]phenalen-7-one;ethane?
benzo[a]phenalen-7-one;ethane has a molecular weight of 320.48 g/mol, XLogP of 7.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]phenalen-7-one;ethane is sourced from PubChem (CID 90765972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).