(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol

C10H12O — CID 12522299

IUPAC(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol
SMILESC[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C10H12O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7,10-11H,6H2,1H3/t7-,10+/m1/s1
InChIKeyFNQQSDCQOLMENF-XCBNKYQSSA-N
MW148.20 g/mol
LogP1.71
Rot. Bonds

About (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol (PubChem CID 12522299) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol
PubChem CID12522299
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol
SMILESC[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C10H12O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7,10-11H,6H2,1H3/t7-,10+/m1/s1
InChIKeyFNQQSDCQOLMENF-XCBNKYQSSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol (CID 12522299) is (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol is C[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is FNQQSDCQOLMENF-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H12O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7,10-11H,6H2,1H3/t7-,10+/m1/s1.
What are the key properties of (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol has a molecular weight of 148.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 12522299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).