7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene

C22H22 — CID 143600250

IUPAC7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene
SMILESCc1cc2c(c(Cc3cccc4ccc(C)cc34)c1)CCC2
InChIInChI=1S/C22H22/c1-15-9-10-17-5-3-6-19(22(17)13-15)14-20-12-16(2)11-18-7-4-8-21(18)20/h3,5-6,9-13H,4,7-8,14H2,1-2H3
InChIKeyPCYNTDUIWNQASG-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.54
Rot. Bonds2

About 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene

7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene (PubChem CID 143600250) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene.

Molecular Properties

Compound Name7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene
PubChem CID143600250
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene
SMILESCc1cc2c(c(Cc3cccc4ccc(C)cc34)c1)CCC2
InChIInChI=1S/C22H22/c1-15-9-10-17-5-3-6-19(22(17)13-15)14-20-12-16(2)11-18-7-4-8-21(18)20/h3,5-6,9-13H,4,7-8,14H2,1-2H3
InChIKeyPCYNTDUIWNQASG-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene?
The IUPAC name of 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene (CID 143600250) is 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene.
What is the SMILES notation for 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene?
The canonical SMILES for 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene is Cc1cc2c(c(Cc3cccc4ccc(C)cc34)c1)CCC2.
What is the InChIKey of 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene?
The InChIKey is PCYNTDUIWNQASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-15-9-10-17-5-3-6-19(22(17)13-15)14-20-12-16(2)11-18-7-4-8-21(18)20/h3,5-6,9-13H,4,7-8,14H2,1-2H3.
What are the key properties of 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene?
7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene has a molecular weight of 286.42 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]naphthalene is sourced from PubChem (CID 143600250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).