7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene

C22H26 — CID 22676533

IUPAC7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene
SMILESCC1=Cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3)c2C1
InChIInChI=1S/C22H26/c1-14(2)18-11-19(15(3)4)13-20(12-18)21-8-6-7-17-9-16(5)10-22(17)21/h6-9,11-15H,10H2,1-5H3
InChIKeyMPCBCIIAQIDKTH-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.56
Rot. Bonds3

About 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene

7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene (PubChem CID 22676533) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene.

Molecular Properties

Compound Name7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene
PubChem CID22676533
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene
SMILESCC1=Cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3)c2C1
InChIInChI=1S/C22H26/c1-14(2)18-11-19(15(3)4)13-20(12-18)21-8-6-7-17-9-16(5)10-22(17)21/h6-9,11-15H,10H2,1-5H3
InChIKeyMPCBCIIAQIDKTH-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene?
The IUPAC name of 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene (CID 22676533) is 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene.
What is the SMILES notation for 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene?
The canonical SMILES for 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene is CC1=Cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3)c2C1.
What is the InChIKey of 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene?
The InChIKey is MPCBCIIAQIDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-14(2)18-11-19(15(3)4)13-20(12-18)21-8-6-7-17-9-16(5)10-22(17)21/h6-9,11-15H,10H2,1-5H3.
What are the key properties of 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene?
7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene has a molecular weight of 290.45 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene is sourced from PubChem (CID 22676533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).