(1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol

C13H16O3 — CID 130220437

IUPAC(1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol
SMILESCCOC1=C[C@H](C)c2cc(OC)c(O)cc21
InChIInChI=1S/C13H16O3/c1-4-16-12-5-8(2)9-7-13(15-3)11(14)6-10(9)12/h5-8,14H,4H2,1-3H3/t8-/m0/s1
InChIKeyVMJJHFZJLMNDTQ-QMMMGPOBSA-N
MW220.27 g/mol
LogP2.90
Rot. Bonds3

About (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol

(1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol (PubChem CID 130220437) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol.

Molecular Properties

Compound Name(1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol
PubChem CID130220437
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol
SMILESCCOC1=C[C@H](C)c2cc(OC)c(O)cc21
InChIInChI=1S/C13H16O3/c1-4-16-12-5-8(2)9-7-13(15-3)11(14)6-10(9)12/h5-8,14H,4H2,1-3H3/t8-/m0/s1
InChIKeyVMJJHFZJLMNDTQ-QMMMGPOBSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol?
The IUPAC name of (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol (CID 130220437) is (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol.
What is the SMILES notation for (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol?
The canonical SMILES for (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol is CCOC1=C[C@H](C)c2cc(OC)c(O)cc21.
What is the InChIKey of (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol?
The InChIKey is VMJJHFZJLMNDTQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-16-12-5-8(2)9-7-13(15-3)11(14)6-10(9)12/h5-8,14H,4H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol?
(1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol has a molecular weight of 220.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol is sourced from PubChem (CID 130220437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).