(1S)-1-benzyl-2,3-dihydro-1H-indene

C16H16 — CID 134957742

IUPAC(1S)-1-benzyl-2,3-dihydro-1H-indene
SMILESc1ccc(C[C@@H]2CCc3ccccc32)cc1
InChIInChI=1S/C16H16/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-9,15H,10-12H2/t15-/m0/s1
InChIKeyLPFVAOTWPPGFKI-HNNXBMFYSA-N
MW208.30 g/mol
LogP3.96
Rot. Bonds2

About (1S)-1-benzyl-2,3-dihydro-1H-indene

(1S)-1-benzyl-2,3-dihydro-1H-indene (PubChem CID 134957742) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1S)-1-benzyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S)-1-benzyl-2,3-dihydro-1H-indene
PubChem CID134957742
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name(1S)-1-benzyl-2,3-dihydro-1H-indene
SMILESc1ccc(C[C@@H]2CCc3ccccc32)cc1
InChIInChI=1S/C16H16/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-9,15H,10-12H2/t15-/m0/s1
InChIKeyLPFVAOTWPPGFKI-HNNXBMFYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
[(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
CID 11807876
1-ethyl-2,3-dihydro-1H-indene
CID 20971
(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560606
1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene
CID 147654820
2,4-dibenzyl-3,4-dihydro-1H-isoquinoline
CID 135053737
(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 146584444
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 72942489
(5S,7S)-7-amino-5-benzylsulfanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560596
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 86955228

Frequently Asked Questions

What is the IUPAC name of (1S)-1-benzyl-2,3-dihydro-1H-indene?
The IUPAC name of (1S)-1-benzyl-2,3-dihydro-1H-indene (CID 134957742) is (1S)-1-benzyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S)-1-benzyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1S)-1-benzyl-2,3-dihydro-1H-indene is c1ccc(C[C@@H]2CCc3ccccc32)cc1.
What is the InChIKey of (1S)-1-benzyl-2,3-dihydro-1H-indene?
The InChIKey is LPFVAOTWPPGFKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-9,15H,10-12H2/t15-/m0/s1.
What are the key properties of (1S)-1-benzyl-2,3-dihydro-1H-indene?
(1S)-1-benzyl-2,3-dihydro-1H-indene has a molecular weight of 208.30 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-benzyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 134957742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).