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

C15H22O3 — CID 10658336

IUPAC[(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol
SMILESCC1(C)C[C@](C)(CO)c2c1ccc(CO)c2CO
InChIInChI=1S/C15H22O3/c1-14(2)8-15(3,9-18)13-11(7-17)10(6-16)4-5-12(13)14/h4-5,16-18H,6-9H2,1-3H3/t15-/m1/s1
InChIKeyJUCMRFKOKIZVPS-OAHLLOKOSA-N
MW250.34 g/mol
LogP1.60
Rot. Bonds3

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

[(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol (PubChem CID 10658336) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol.

Molecular Properties

Compound Name[(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol
PubChem CID10658336
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name[(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol
SMILESCC1(C)C[C@](C)(CO)c2c1ccc(CO)c2CO
InChIInChI=1S/C15H22O3/c1-14(2)8-15(3,9-18)13-11(7-17)10(6-16)4-5-12(13)14/h4-5,16-18H,6-9H2,1-3H3/t15-/m1/s1
InChIKeyJUCMRFKOKIZVPS-OAHLLOKOSA-N
XLogP1.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol?
The IUPAC name of [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol (CID 10658336) is [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol.
What is the SMILES notation for [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol?
The canonical SMILES for [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol is CC1(C)C[C@](C)(CO)c2c1ccc(CO)c2CO.
What is the InChIKey of [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol?
The InChIKey is JUCMRFKOKIZVPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)8-15(3,9-18)13-11(7-17)10(6-16)4-5-12(13)14/h4-5,16-18H,6-9H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol?
[(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol is sourced from PubChem (CID 10658336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).