(1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene

C24H24 — CID 97304601

IUPAC(1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene
SMILESC[C@@H](c1ccccc1)c1ccccc1[C@@H]1C[C@H](C)c2ccccc21
InChIInChI=1S/C24H24/c1-17-16-24(22-14-8-6-12-20(17)22)23-15-9-7-13-21(23)18(2)19-10-4-3-5-11-19/h3-15,17-18,24H,16H2,1-2H3/t17-,18-,24+/m0/s1
InChIKeyAFRNTNXQRVUPKW-LLJLJFOGSA-N
MW312.46 g/mol
LogP6.48
Rot. Bonds3

About (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene

(1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene (PubChem CID 97304601) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene
PubChem CID97304601
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name(1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene
SMILESC[C@@H](c1ccccc1)c1ccccc1[C@@H]1C[C@H](C)c2ccccc21
InChIInChI=1S/C24H24/c1-17-16-24(22-14-8-6-12-20(17)22)23-15-9-7-13-21(23)18(2)19-10-4-3-5-11-19/h3-15,17-18,24H,16H2,1-2H3/t17-,18-,24+/m0/s1
InChIKeyAFRNTNXQRVUPKW-LLJLJFOGSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene?
The IUPAC name of (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene (CID 97304601) is (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene is C[C@@H](c1ccccc1)c1ccccc1[C@@H]1C[C@H](C)c2ccccc21.
What is the InChIKey of (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene?
The InChIKey is AFRNTNXQRVUPKW-LLJLJFOGSA-N. The full InChI is InChI=1S/C24H24/c1-17-16-24(22-14-8-6-12-20(17)22)23-15-9-7-13-21(23)18(2)19-10-4-3-5-11-19/h3-15,17-18,24H,16H2,1-2H3/t17-,18-,24+/m0/s1.
What are the key properties of (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene?
(1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene has a molecular weight of 312.46 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 97304601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).