2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol

C15H22O2 — CID 10847307

IUPAC2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol
SMILESCc1cc2c(c(CO)c1CCO)CC(C)(C)C2
InChIInChI=1S/C15H22O2/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,16-17H,4-5,7-9H2,1-3H3
InChIKeyBQJOEAFEARPHDH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.15
Rot. Bonds3

About 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol

2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol (PubChem CID 10847307) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol
PubChem CID10847307
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol
SMILESCc1cc2c(c(CO)c1CCO)CC(C)(C)C2
InChIInChI=1S/C15H22O2/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,16-17H,4-5,7-9H2,1-3H3
InChIKeyBQJOEAFEARPHDH-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol?
The IUPAC name of 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol (CID 10847307) is 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol is Cc1cc2c(c(CO)c1CCO)CC(C)(C)C2.
What is the InChIKey of 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol?
The InChIKey is BQJOEAFEARPHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,16-17H,4-5,7-9H2,1-3H3.
What are the key properties of 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol?
2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol is sourced from PubChem (CID 10847307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).