[(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol

C15H22O2 — CID 10728408

IUPAC[(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol
SMILESCc1ccc2c(c1CO)[C@@](C)(CO)CC2(C)C
InChIInChI=1S/C15H22O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h5-6,16-17H,7-9H2,1-4H3/t15-/m1/s1
InChIKeyUQQKKLVKVVJDEX-OAHLLOKOSA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds2

About [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol

[(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol (PubChem CID 10728408) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol
PubChem CID10728408
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name[(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol
SMILESCc1ccc2c(c1CO)[C@@](C)(CO)CC2(C)C
InChIInChI=1S/C15H22O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h5-6,16-17H,7-9H2,1-4H3/t15-/m1/s1
InChIKeyUQQKKLVKVVJDEX-OAHLLOKOSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol?
The IUPAC name of [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol (CID 10728408) is [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol?
The canonical SMILES for [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol is Cc1ccc2c(c1CO)[C@@](C)(CO)CC2(C)C.
What is the InChIKey of [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol?
The InChIKey is UQQKKLVKVVJDEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h5-6,16-17H,7-9H2,1-4H3/t15-/m1/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol?
[(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]methanol is sourced from PubChem (CID 10728408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).