2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol

C15H22O2 — CID 101416477

IUPAC2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol
SMILESCc1cc2c(c(C)c1CCO)C[C@@](C)(CO)C2
InChIInChI=1S/C15H22O2/c1-10-6-12-7-15(3,9-17)8-14(12)11(2)13(10)4-5-16/h6,16-17H,4-5,7-9H2,1-3H3/t15-/m0/s1
InChIKeyNEZGFHNMFLQZSV-HNNXBMFYSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds3

About 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol

2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol (PubChem CID 101416477) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol
PubChem CID101416477
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol
SMILESCc1cc2c(c(C)c1CCO)C[C@@](C)(CO)C2
InChIInChI=1S/C15H22O2/c1-10-6-12-7-15(3,9-17)8-14(12)11(2)13(10)4-5-16/h6,16-17H,4-5,7-9H2,1-3H3/t15-/m0/s1
InChIKeyNEZGFHNMFLQZSV-HNNXBMFYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-tert-Butylphenethyl alcohol
CID 79410
(2,5-Dimethyl-2,3-dihydro-1H-inden-2-yl)methanol
CID 11367306
Pterosin Z
CID 134977
2-Hydroxyethylmesitylene
CID 81389
2-Indanmethanol
CID 228873
(2,3-dihydro-1H-inden-5-yl)methanol
CID 330183
1H-Indene-5-ethanol, 2,3-dihydro-beta,1,1,2,3,3-hexamethyl-
CID 102580
11-Hydroxydehydrobotrydienol
CID 10658336
Dehydrobotrydienol
CID 10728408
Kujigamberol
CID 60144403
Phycomysterol A
CID 11794191
Neoergosterol
CID 10571850

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol (CID 101416477) is 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol is Cc1cc2c(c(C)c1CCO)C[C@@](C)(CO)C2.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol?
The InChIKey is NEZGFHNMFLQZSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-6-12-7-15(3,9-17)8-14(12)11(2)13(10)4-5-16/h6,16-17H,4-5,7-9H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol?
2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-1,3-dihydroinden-5-yl]ethanol is sourced from PubChem (CID 101416477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).