(7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one

C15H22O3 — CID 129320414

IUPAC(7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one
SMILESCC1=C(CCO)[C@@](C)(O)C2=C(CC(C)(C)C2)C1=O
InChIInChI=1S/C15H22O3/c1-9-11(5-6-16)15(4,18)12-8-14(2,3)7-10(12)13(9)17/h16,18H,5-8H2,1-4H3/t15-/m1/s1
InChIKeyGHFRGNHGUDJTGJ-OAHLLOKOSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds2

About (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one

(7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one (PubChem CID 129320414) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one.

Molecular Properties

Compound Name(7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one
PubChem CID129320414
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one
SMILESCC1=C(CCO)[C@@](C)(O)C2=C(CC(C)(C)C2)C1=O
InChIInChI=1S/C15H22O3/c1-9-11(5-6-16)15(4,18)12-8-14(2,3)7-10(12)13(9)17/h16,18H,5-8H2,1-4H3/t15-/m1/s1
InChIKeyGHFRGNHGUDJTGJ-OAHLLOKOSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one?
The IUPAC name of (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one (CID 129320414) is (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one.
What is the SMILES notation for (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one?
The canonical SMILES for (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one is CC1=C(CCO)[C@@](C)(O)C2=C(CC(C)(C)C2)C1=O.
What is the InChIKey of (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one?
The InChIKey is GHFRGNHGUDJTGJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-11(5-6-16)15(4,18)12-8-14(2,3)7-10(12)13(9)17/h16,18H,5-8H2,1-4H3/t15-/m1/s1.
What are the key properties of (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one?
(7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one has a molecular weight of 250.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-one is sourced from PubChem (CID 129320414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).