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

C15H22O3 — CID 10610690

IUPAC[(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol
SMILESCc1ccc2c(c1CO)[C@@](C)(CO)C[C@@]2(C)CO
InChIInChI=1S/C15H22O3/c1-10-4-5-12-13(11(10)6-16)15(3,9-18)7-14(12,2)8-17/h4-5,16-18H,6-9H2,1-3H3/t14-,15+/m0/s1
InChIKeyYPJRKTIWVUVMDI-LSDHHAIUSA-N
MW250.34 g/mol
LogP1.39
Rot. Bonds3

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

[(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol (PubChem CID 10610690) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol
PubChem CID10610690
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name[(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol
SMILESCc1ccc2c(c1CO)[C@@](C)(CO)C[C@@]2(C)CO
InChIInChI=1S/C15H22O3/c1-10-4-5-12-13(11(10)6-16)15(3,9-18)7-14(12,2)8-17/h4-5,16-18H,6-9H2,1-3H3/t14-,15+/m0/s1
InChIKeyYPJRKTIWVUVMDI-LSDHHAIUSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol?
The IUPAC name of [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol (CID 10610690) is [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol.
What is the SMILES notation for [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol?
The canonical SMILES for [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol is Cc1ccc2c(c1CO)[C@@](C)(CO)C[C@@]2(C)CO.
What is the InChIKey of [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol?
The InChIKey is YPJRKTIWVUVMDI-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-4-5-12-13(11(10)6-16)15(3,9-18)7-14(12,2)8-17/h4-5,16-18H,6-9H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol?
[(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol is sourced from PubChem (CID 10610690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).