(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene

C12H16 — CID 58834632

IUPAC(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
SMILESCC1[C@H](C)c2ccccc2[C@@H]1C
InChIInChI=1S/C12H16/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-10H,1-3H3/t8?,9-,10+
InChIKeyVTFCTROSJUESLK-PBINXNQUSA-N
MW160.26 g/mol
LogP3.54
Rot. Bonds

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

(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene (PubChem CID 58834632) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
PubChem CID58834632
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
SMILESCC1[C@H](C)c2ccccc2[C@@H]1C
InChIInChI=1S/C12H16/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-10H,1-3H3/t8?,9-,10+
InChIKeyVTFCTROSJUESLK-PBINXNQUSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
(1R,3S,4S)-1,3,4-trimethyl-3,4-dihydro-1H-isochromene
CID 6429795
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
CID 164679988
1,4-dimethyl-1,4-dihydronaphthalene
CID 13283200
(15S,17R)-15,17-dimethyltetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaen-16-ol
CID 10515770
8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45084610
(3S,4R,5R)-3,4,5-trimethyl-2,3,4,5-tetrahydro-1λ6-benzothiepine 1,1-dioxide
CID 59108983
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium
CID 177158601
rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one
CID 59055279

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene?
The IUPAC name of (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene (CID 58834632) is (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene is CC1[C@H](C)c2ccccc2[C@@H]1C.
What is the InChIKey of (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene?
The InChIKey is VTFCTROSJUESLK-PBINXNQUSA-N. The full InChI is InChI=1S/C12H16/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-10H,1-3H3/t8?,9-,10+.
What are the key properties of (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene?
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene has a molecular weight of 160.26 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 58834632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).