(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one

C15H22O2 — CID 15690503

IUPAC(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one
SMILESCC(C)C1=CC(C)(C)CC2=C1C(=O)C[C@@]2(C)O
InChIInChI=1S/C15H22O2/c1-9(2)10-6-14(3,4)7-11-13(10)12(16)8-15(11,5)17/h6,9,17H,7-8H2,1-5H3/t15-/m1/s1
InChIKeyCDGJALSODSFJMM-OAHLLOKOSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds1

About (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one

(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one (PubChem CID 15690503) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one
PubChem CID15690503
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one
SMILESCC(C)C1=CC(C)(C)CC2=C1C(=O)C[C@@]2(C)O
InChIInChI=1S/C15H22O2/c1-9(2)10-6-14(3,4)7-11-13(10)12(16)8-15(11,5)17/h6,9,17H,7-8H2,1-5H3/t15-/m1/s1
InChIKeyCDGJALSODSFJMM-OAHLLOKOSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one?
The IUPAC name of (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one (CID 15690503) is (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one.
What is the SMILES notation for (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one?
The canonical SMILES for (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one is CC(C)C1=CC(C)(C)CC2=C1C(=O)C[C@@]2(C)O.
What is the InChIKey of (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one?
The InChIKey is CDGJALSODSFJMM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)10-6-14(3,4)7-11-13(10)12(16)8-15(11,5)17/h6,9,17H,7-8H2,1-5H3/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one?
(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one is sourced from PubChem (CID 15690503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).