2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one

C12H14O3 — CID 90078933

IUPAC2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(C(C)O)C2
InChIInChI=1S/C12H14O3/c1-7(13)10-5-8-3-4-9(15-2)6-11(8)12(10)14/h3-4,6-7,10,13H,5H2,1-2H3
InChIKeySVJAMEZZWGVQQI-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.43
Rot. Bonds2

About 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one

2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one (PubChem CID 90078933) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one
PubChem CID90078933
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(C(C)O)C2
InChIInChI=1S/C12H14O3/c1-7(13)10-5-8-3-4-9(15-2)6-11(8)12(10)14/h3-4,6-7,10,13H,5H2,1-2H3
InChIKeySVJAMEZZWGVQQI-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-methoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 16639026
6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
CID 67555902
2-but-3-en-2-yl-5-methoxy-2,3-dihydroinden-1-one
CID 154720213
2-(1-hydroxybut-3-ynyl)-6-methoxy-2,3-dihydroinden-1-one;2-(1-hydroxybut-3-ynyl)-3-oxo-1,2-dihydroindene-4-carbonitrile
CID 123569242
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
(2S)-2-but-2-enyl-6-methoxy-2,3-dihydroinden-1-one
CID 67713869
ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate
CID 66741339
9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one
CID 15521808
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one
CID 79539176
7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 84628075

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one (CID 90078933) is 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one is COc1ccc2c(c1)C(=O)C(C(C)O)C2.
What is the InChIKey of 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one?
The InChIKey is SVJAMEZZWGVQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7(13)10-5-8-3-4-9(15-2)6-11(8)12(10)14/h3-4,6-7,10,13H,5H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one?
2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one has a molecular weight of 206.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 90078933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).