1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone

C18H16O3 — CID 135004359

IUPAC1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone
SMILESCOc1ccc([C@@H]2C(C(C)=O)=C(O)c3ccccc32)cc1
InChIInChI=1S/C18H16O3/c1-11(19)16-17(12-7-9-13(21-2)10-8-12)14-5-3-4-6-15(14)18(16)20/h3-10,17,20H,1-2H3/t17-/m0/s1
InChIKeyLHPJIDXHYNPEGB-KRWDZBQOSA-N
MW280.32 g/mol
LogP3.70
Rot. Bonds3

About 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone

1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone (PubChem CID 135004359) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone.

Molecular Properties

Compound Name1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone
PubChem CID135004359
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone
SMILESCOc1ccc([C@@H]2C(C(C)=O)=C(O)c3ccccc32)cc1
InChIInChI=1S/C18H16O3/c1-11(19)16-17(12-7-9-13(21-2)10-8-12)14-5-3-4-6-15(14)18(16)20/h3-10,17,20H,1-2H3/t17-/m0/s1
InChIKeyLHPJIDXHYNPEGB-KRWDZBQOSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone?
The IUPAC name of 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone (CID 135004359) is 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone.
What is the SMILES notation for 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone?
The canonical SMILES for 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone is COc1ccc([C@@H]2C(C(C)=O)=C(O)c3ccccc32)cc1.
What is the InChIKey of 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone?
The InChIKey is LHPJIDXHYNPEGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16O3/c1-11(19)16-17(12-7-9-13(21-2)10-8-12)14-5-3-4-6-15(14)18(16)20/h3-10,17,20H,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone?
1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone has a molecular weight of 280.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone is sourced from PubChem (CID 135004359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).