2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol

C16H24O2 — CID 170989598

IUPAC2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol
SMILESCOC1c2c(cc(C)c(CCO)c2C)CC1(C)C
InChIInChI=1S/C16H24O2/c1-10-8-12-9-16(3,4)15(18-5)14(12)11(2)13(10)6-7-17/h8,15,17H,6-7,9H2,1-5H3
InChIKeyBNJSGZUDIOOUBQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.11
Rot. Bonds3

About 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol

2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol (PubChem CID 170989598) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol
PubChem CID170989598
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol
SMILESCOC1c2c(cc(C)c(CCO)c2C)CC1(C)C
InChIInChI=1S/C16H24O2/c1-10-8-12-9-16(3,4)15(18-5)14(12)11(2)13(10)6-7-17/h8,15,17H,6-7,9H2,1-5H3
InChIKeyBNJSGZUDIOOUBQ-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol?
The IUPAC name of 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol (CID 170989598) is 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol.
What is the SMILES notation for 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol?
The canonical SMILES for 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol is COC1c2c(cc(C)c(CCO)c2C)CC1(C)C.
What is the InChIKey of 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol?
The InChIKey is BNJSGZUDIOOUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10-8-12-9-16(3,4)15(18-5)14(12)11(2)13(10)6-7-17/h8,15,17H,6-7,9H2,1-5H3.
What are the key properties of 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol?
2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethanol is sourced from PubChem (CID 170989598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).