1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol

C16H24O2 — CID 134982448

IUPAC1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol
SMILESCCC1c2cc(OC)c(O)cc2C(C)(C)C1(C)C
InChIInChI=1S/C16H24O2/c1-7-11-10-8-14(18-6)13(17)9-12(10)16(4,5)15(11,2)3/h8-9,11,17H,7H2,1-6H3
InChIKeyWJBLBVVDYZKDGH-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.21
Rot. Bonds2

About 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol

1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol (PubChem CID 134982448) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol.

Molecular Properties

Compound Name1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol
PubChem CID134982448
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol
SMILESCCC1c2cc(OC)c(O)cc2C(C)(C)C1(C)C
InChIInChI=1S/C16H24O2/c1-7-11-10-8-14(18-6)13(17)9-12(10)16(4,5)15(11,2)3/h8-9,11,17H,7H2,1-6H3
InChIKeyWJBLBVVDYZKDGH-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol?
The IUPAC name of 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol (CID 134982448) is 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol.
What is the SMILES notation for 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol?
The canonical SMILES for 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol is CCC1c2cc(OC)c(O)cc2C(C)(C)C1(C)C.
What is the InChIKey of 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol?
The InChIKey is WJBLBVVDYZKDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-7-11-10-8-14(18-6)13(17)9-12(10)16(4,5)15(11,2)3/h8-9,11,17H,7H2,1-6H3.
What are the key properties of 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol?
1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol has a molecular weight of 248.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol is sourced from PubChem (CID 134982448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).