2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene

C22H25Br — CID 67328501

IUPAC2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene
SMILESCc1ccc2c(c1-c1cc(C(C)C)cc(C(C)C)c1)C=C(Br)C2
InChIInChI=1S/C22H25Br/c1-13(2)17-8-18(14(3)4)10-19(9-17)22-15(5)6-7-16-11-20(23)12-21(16)22/h6-10,12-14H,11H2,1-5H3
InChIKeySPYKVOMABVQXBH-UHFFFAOYSA-N
MW369.35 g/mol
LogP7.20
Rot. Bonds3

About 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene

2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene (PubChem CID 67328501) has the molecular formula C22H25Br and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene.

Molecular Properties

Compound Name2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene
PubChem CID67328501
Molecular FormulaC22H25Br
Molecular Weight369.35 g/mol
Exact Mass368.11
IUPAC Name2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene
SMILESCc1ccc2c(c1-c1cc(C(C)C)cc(C(C)C)c1)C=C(Br)C2
InChIInChI=1S/C22H25Br/c1-13(2)17-8-18(14(3)4)10-19(9-17)22-15(5)6-7-16-11-20(23)12-21(16)22/h6-10,12-14H,11H2,1-5H3
InChIKeySPYKVOMABVQXBH-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene?
The IUPAC name of 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene (CID 67328501) is 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene.
What is the SMILES notation for 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene?
The canonical SMILES for 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene is Cc1ccc2c(c1-c1cc(C(C)C)cc(C(C)C)c1)C=C(Br)C2.
What is the InChIKey of 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene?
The InChIKey is SPYKVOMABVQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Br/c1-13(2)17-8-18(14(3)4)10-19(9-17)22-15(5)6-7-16-11-20(23)12-21(16)22/h6-10,12-14H,11H2,1-5H3.
What are the key properties of 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene?
2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene has a molecular weight of 369.35 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene is sourced from PubChem (CID 67328501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).