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

C10H12O — CID 640582

IUPAC(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
SMILESC[C@H]1C[C@@H](O)c2ccccc21
InChIInChI=1S/C10H12O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7,10-11H,6H2,1H3/t7-,10+/m0/s1
InChIKeyLNQVCJCCOORXHZ-OIBJUYFYSA-N
MW148.20 g/mol
LogP2.23
Rot. Bonds

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

(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 640582) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID640582
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
SMILESC[C@H]1C[C@@H](O)c2ccccc21
InChIInChI=1S/C10H12O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7,10-11H,6H2,1H3/t7-,10+/m0/s1
InChIKeyLNQVCJCCOORXHZ-OIBJUYFYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol (CID 640582) is (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol is C[C@H]1C[C@@H](O)c2ccccc21.
What is the InChIKey of (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LNQVCJCCOORXHZ-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7,10-11H,6H2,1H3/t7-,10+/m0/s1.
What are the key properties of (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol?
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 148.20 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 640582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).