1,3-dihydroinden-2-one;ethane;1H-indene;methanol

C23H32O2 — CID 158820354

IUPAC1,3-dihydroinden-2-one;ethane;1H-indene;methanol
SMILESC1=Cc2ccccc2C1.CC.CC.CO.O=C1Cc2ccccc2C1
InChIInChI=1S/C9H8O.C9H8.2C2H6.CH4O/c10-9-5-7-3-1-2-4-8(7)6-9;1-2-5-9-7-3-6-8(9)4-1;3*1-2/h1-4H,5-6H2;1-6H,7H2;2*1-2H3;2H,1H3
InChIKeyIVUDEAQJFMNAJZ-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.27
Rot. Bonds

About 1,3-dihydroinden-2-one;ethane;1H-indene;methanol

1,3-dihydroinden-2-one;ethane;1H-indene;methanol (PubChem CID 158820354) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1,3-dihydroinden-2-one;ethane;1H-indene;methanol.

Molecular Properties

Compound Name1,3-dihydroinden-2-one;ethane;1H-indene;methanol
PubChem CID158820354
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1,3-dihydroinden-2-one;ethane;1H-indene;methanol
SMILESC1=Cc2ccccc2C1.CC.CC.CO.O=C1Cc2ccccc2C1
InChIInChI=1S/C9H8O.C9H8.2C2H6.CH4O/c10-9-5-7-3-1-2-4-8(7)6-9;1-2-5-9-7-3-6-8(9)4-1;3*1-2/h1-4H,5-6H2;1-6H,7H2;2*1-2H3;2H,1H3
InChIKeyIVUDEAQJFMNAJZ-UHFFFAOYSA-N
XLogP5.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroinden-2-one;ethane;1H-indene;methanol?
The IUPAC name of 1,3-dihydroinden-2-one;ethane;1H-indene;methanol (CID 158820354) is 1,3-dihydroinden-2-one;ethane;1H-indene;methanol.
What is the SMILES notation for 1,3-dihydroinden-2-one;ethane;1H-indene;methanol?
The canonical SMILES for 1,3-dihydroinden-2-one;ethane;1H-indene;methanol is C1=Cc2ccccc2C1.CC.CC.CO.O=C1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroinden-2-one;ethane;1H-indene;methanol?
The InChIKey is IVUDEAQJFMNAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C9H8.2C2H6.CH4O/c10-9-5-7-3-1-2-4-8(7)6-9;1-2-5-9-7-3-6-8(9)4-1;3*1-2/h1-4H,5-6H2;1-6H,7H2;2*1-2H3;2H,1H3.
What are the key properties of 1,3-dihydroinden-2-one;ethane;1H-indene;methanol?
1,3-dihydroinden-2-one;ethane;1H-indene;methanol has a molecular weight of 340.51 g/mol, XLogP of 5.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroinden-2-one;ethane;1H-indene;methanol is sourced from PubChem (CID 158820354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).