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

C24H24 — CID 97304600

IUPAC(1R,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-/m1/s1
InChIKeyAFRNTNXQRVUPKW-NXMSCROESA-N
MW312.46 g/mol
LogP6.48
Rot. Bonds3

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

(1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene (PubChem CID 97304600) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is (1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene
PubChem CID97304600
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name(1R,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-/m1/s1
InChIKeyAFRNTNXQRVUPKW-NXMSCROESA-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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Related Compounds

(1S,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene
CID 97304601
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol
CID 174602517
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
CID 69309160

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene?
The IUPAC name of (1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene (CID 97304600) is (1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,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 (1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene?
The InChIKey is AFRNTNXQRVUPKW-NXMSCROESA-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-/m1/s1.
What are the key properties of (1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene?
(1R,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 (1R,3R)-1-methyl-3-[2-[(1S)-1-phenylethyl]phenyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 97304600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).