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

C16H16O — CID 46909957

IUPAC(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1c2ccccc2C[C@H]1Cc1ccccc1
InChIInChI=1S/C16H16O/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16/h1-9,14,16-17H,10-11H2/t14-,16+/m1/s1
InChIKeyJEBQRQRDSPRILJ-ZBFHGGJFSA-N
MW224.30 g/mol
LogP3.13
Rot. Bonds2

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

(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 46909957) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol
PubChem CID46909957
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1c2ccccc2C[C@H]1Cc1ccccc1
InChIInChI=1S/C16H16O/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16/h1-9,14,16-17H,10-11H2/t14-,16+/m1/s1
InChIKeyJEBQRQRDSPRILJ-ZBFHGGJFSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Fluoren-9-ol
CID 74318
1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
9H-Fluorene-9-methanol
CID 90466
(+-)-Acenaphthenol
CID 22750
Dibenzosuberol
CID 14588
alpha-Cyclohexylbenzenemethanol
CID 95668
2-Benzylbenzyl alcohol
CID 74109
9-Hydroxy-9-methylfluorene
CID 95933
2-Methylbenzhydrol
CID 95659
1-Fluorenemethanol
CID 52307
Cyclopentyl(phenyl)methanol
CID 316741

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol (CID 46909957) is (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol is O[C@@H]1c2ccccc2C[C@H]1Cc1ccccc1.
What is the InChIKey of (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is JEBQRQRDSPRILJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H16O/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16/h1-9,14,16-17H,10-11H2/t14-,16+/m1/s1.
What are the key properties of (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 224.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 46909957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).