(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene

C18H20 — CID 102284055

IUPAC(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene
SMILESCC[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C18H20/c1-3-15-13(2)18(14-9-5-4-6-10-14)17-12-8-7-11-16(15)17/h4-13,15,18H,3H2,1-2H3/t13-,15-,18-/m0/s1
InChIKeyKHKCHKOTWQNMMD-YEWWUXTCSA-N
MW236.36 g/mol
LogP4.96
Rot. Bonds2

About (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene

(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene (PubChem CID 102284055) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene
PubChem CID102284055
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene
SMILESCC[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C18H20/c1-3-15-13(2)18(14-9-5-4-6-10-14)17-12-8-7-11-16(15)17/h4-13,15,18H,3H2,1-2H3/t13-,15-,18-/m0/s1
InChIKeyKHKCHKOTWQNMMD-YEWWUXTCSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene?
The IUPAC name of (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene (CID 102284055) is (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene is CC[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene?
The InChIKey is KHKCHKOTWQNMMD-YEWWUXTCSA-N. The full InChI is InChI=1S/C18H20/c1-3-15-13(2)18(14-9-5-4-6-10-14)17-12-8-7-11-16(15)17/h4-13,15,18H,3H2,1-2H3/t13-,15-,18-/m0/s1.
What are the key properties of (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene?
(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene has a molecular weight of 236.36 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 102284055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).