1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene

C27H28 — CID 87492929

IUPAC1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
SMILESCC1=Cc2ccccc2C1c1cc2ccccc2c(C2CCCCC2)c1C
InChIInChI=1S/C27H28/c1-18-16-21-12-6-8-14-23(21)26(18)25-17-22-13-7-9-15-24(22)27(19(25)2)20-10-4-3-5-11-20/h6-9,12-17,20,26H,3-5,10-11H2,1-2H3
InChIKeyIVESXFCFENESQT-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.74
Rot. Bonds2

About 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene

1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene (PubChem CID 87492929) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
PubChem CID87492929
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
SMILESCC1=Cc2ccccc2C1c1cc2ccccc2c(C2CCCCC2)c1C
InChIInChI=1S/C27H28/c1-18-16-21-12-6-8-14-23(21)26(18)25-17-22-13-7-9-15-24(22)27(19(25)2)20-10-4-3-5-11-20/h6-9,12-17,20,26H,3-5,10-11H2,1-2H3
InChIKeyIVESXFCFENESQT-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene?
The IUPAC name of 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene (CID 87492929) is 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene is CC1=Cc2ccccc2C1c1cc2ccccc2c(C2CCCCC2)c1C.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene?
The InChIKey is IVESXFCFENESQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-18-16-21-12-6-8-14-23(21)26(18)25-17-22-13-7-9-15-24(22)27(19(25)2)20-10-4-3-5-11-20/h6-9,12-17,20,26H,3-5,10-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene?
1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene has a molecular weight of 352.52 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene is sourced from PubChem (CID 87492929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).