1,1,3-trimethyl-3-phenyl-2H-indene

C18H20 — CID 19793

IUPAC1,1,3-trimethyl-3-phenyl-2H-indene
SMILESCC1(C)CC(C)(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3
InChIKeyICLPNZMYHDVKKI-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.67
Rot. Bonds1

About 1,1,3-trimethyl-3-phenyl-2H-indene

1,1,3-trimethyl-3-phenyl-2H-indene (PubChem CID 19793) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-phenyl-2H-indene.

Molecular Properties

Compound Name1,1,3-trimethyl-3-phenyl-2H-indene
PubChem CID19793
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1,1,3-trimethyl-3-phenyl-2H-indene
SMILESCC1(C)CC(C)(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3
InChIKeyICLPNZMYHDVKKI-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-phenyl-2H-indene?
The IUPAC name of 1,1,3-trimethyl-3-phenyl-2H-indene (CID 19793) is 1,1,3-trimethyl-3-phenyl-2H-indene.
What is the SMILES notation for 1,1,3-trimethyl-3-phenyl-2H-indene?
The canonical SMILES for 1,1,3-trimethyl-3-phenyl-2H-indene is CC1(C)CC(C)(c2ccccc2)c2ccccc21.
What is the InChIKey of 1,1,3-trimethyl-3-phenyl-2H-indene?
The InChIKey is ICLPNZMYHDVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-phenyl-2H-indene?
1,1,3-trimethyl-3-phenyl-2H-indene has a molecular weight of 236.36 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-phenyl-2H-indene is sourced from PubChem (CID 19793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).