2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one

C12H14O2 — CID 90078917

IUPAC2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one
SMILESCc1cccc2c1C(=O)C(C(C)O)C2
InChIInChI=1S/C12H14O2/c1-7-4-3-5-9-6-10(8(2)13)12(14)11(7)9/h3-5,8,10,13H,6H2,1-2H3
InChIKeySQYWJMUUZGZTSU-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.73
Rot. Bonds1

About 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one

2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one (PubChem CID 90078917) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one
PubChem CID90078917
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one
SMILESCc1cccc2c1C(=O)C(C(C)O)C2
InChIInChI=1S/C12H14O2/c1-7-4-3-5-9-6-10(8(2)13)12(14)11(7)9/h3-5,8,10,13H,6H2,1-2H3
InChIKeySQYWJMUUZGZTSU-UHFFFAOYSA-N
XLogP1.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one (CID 90078917) is 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one is Cc1cccc2c1C(=O)C(C(C)O)C2.
What is the InChIKey of 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one?
The InChIKey is SQYWJMUUZGZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-7-4-3-5-9-6-10(8(2)13)12(14)11(7)9/h3-5,8,10,13H,6H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one?
2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-7-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 90078917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).