ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate

C15H18O4 — CID 71356870

IUPACethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate
SMILESCCOC(=O)CC1=C(C)C(O)c2cc(OC)ccc21
InChIInChI=1S/C15H18O4/c1-4-19-14(16)8-12-9(2)15(17)13-7-10(18-3)5-6-11(12)13/h5-7,15,17H,4,8H2,1-3H3
InChIKeyXHNGZEZSDUDVKR-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.47
Rot. Bonds4

About ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate

ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate (PubChem CID 71356870) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate
PubChem CID71356870
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate
SMILESCCOC(=O)CC1=C(C)C(O)c2cc(OC)ccc21
InChIInChI=1S/C15H18O4/c1-4-19-14(16)8-12-9(2)15(17)13-7-10(18-3)5-6-11(12)13/h5-7,15,17H,4,8H2,1-3H3
InChIKeyXHNGZEZSDUDVKR-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate?
The IUPAC name of ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate (CID 71356870) is ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate is CCOC(=O)CC1=C(C)C(O)c2cc(OC)ccc21.
What is the InChIKey of ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate?
The InChIKey is XHNGZEZSDUDVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-19-14(16)8-12-9(2)15(17)13-7-10(18-3)5-6-11(12)13/h5-7,15,17H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate?
ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate has a molecular weight of 262.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate is sourced from PubChem (CID 71356870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).