2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one

C22H24O5 — CID 158259369

IUPAC2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)CC(CCO)C2=O.COc1ccc2c(c1)CCC2=O
InChIInChI=1S/C12H14O3.C10H10O2/c1-15-10-2-3-11-9(7-10)6-8(4-5-13)12(11)14;1-12-8-3-4-9-7(6-8)2-5-10(9)11/h2-3,7-8,13H,4-6H2,1H3;3-4,6H,2,5H2,1H3
InChIKeyGHROHALOBAAEGH-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one

2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one (PubChem CID 158259369) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one
PubChem CID158259369
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)CC(CCO)C2=O.COc1ccc2c(c1)CCC2=O
InChIInChI=1S/C12H14O3.C10H10O2/c1-15-10-2-3-11-9(7-10)6-8(4-5-13)12(11)14;1-12-8-3-4-9-7(6-8)2-5-10(9)11/h2-3,7-8,13H,4-6H2,1H3;3-4,6H,2,5H2,1H3
InChIKeyGHROHALOBAAEGH-UHFFFAOYSA-N
XLogP3.26
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one with MolForge

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Related Compounds

3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 98053581
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
2-acetyl-5-methoxy-2,3-dihydroinden-1-one
CID 121012834
2-(2-chloroacetyl)-5-methoxy-2,3-dihydroinden-1-one
CID 121008324
N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
CID 162121453
2-(cyclohexa-1,5-dien-1-ylmethyl)-5-methoxy-2,3-dihydroinden-1-one
CID 143038884
7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
CID 615098

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one (CID 158259369) is 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one is COc1ccc2c(c1)CC(CCO)C2=O.COc1ccc2c(c1)CCC2=O.
What is the InChIKey of 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one?
The InChIKey is GHROHALOBAAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3.C10H10O2/c1-15-10-2-3-11-9(7-10)6-8(4-5-13)12(11)14;1-12-8-3-4-9-7(6-8)2-5-10(9)11/h2-3,7-8,13H,4-6H2,1H3;3-4,6H,2,5H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one?
2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one has a molecular weight of 368.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 158259369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).