2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene

C29H30O2 — CID 146263241

IUPAC2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene
SMILESCC1CCC(C(COc2ccc3ccccc3c2)COc2ccc3ccccc3c2)C1
InChIInChI=1S/C29H30O2/c1-21-10-11-26(16-21)27(19-30-28-14-12-22-6-2-4-8-24(22)17-28)20-31-29-15-13-23-7-3-5-9-25(23)18-29/h2-9,12-15,17-18,21,26-27H,10-11,16,19-20H2,1H3
InChIKeyDNOUBYIRJNAWBN-UHFFFAOYSA-N
MW410.56 g/mol
LogP7.50
Rot. Bonds7

About 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene

2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene (PubChem CID 146263241) has the molecular formula C29H30O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene.

Molecular Properties

Compound Name2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene
PubChem CID146263241
Molecular FormulaC29H30O2
Molecular Weight410.56 g/mol
Exact Mass410.22
IUPAC Name2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene
SMILESCC1CCC(C(COc2ccc3ccccc3c2)COc2ccc3ccccc3c2)C1
InChIInChI=1S/C29H30O2/c1-21-10-11-26(16-21)27(19-30-28-14-12-22-6-2-4-8-24(22)17-28)20-31-29-15-13-23-7-3-5-9-25(23)18-29/h2-9,12-15,17-18,21,26-27H,10-11,16,19-20H2,1H3
InChIKeyDNOUBYIRJNAWBN-UHFFFAOYSA-N
XLogP7.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene?
The IUPAC name of 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene (CID 146263241) is 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene.
What is the SMILES notation for 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene?
The canonical SMILES for 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene is CC1CCC(C(COc2ccc3ccccc3c2)COc2ccc3ccccc3c2)C1.
What is the InChIKey of 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene?
The InChIKey is DNOUBYIRJNAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O2/c1-21-10-11-26(16-21)27(19-30-28-14-12-22-6-2-4-8-24(22)17-28)20-31-29-15-13-23-7-3-5-9-25(23)18-29/h2-9,12-15,17-18,21,26-27H,10-11,16,19-20H2,1H3.
What are the key properties of 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene?
2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene has a molecular weight of 410.56 g/mol, XLogP of 7.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene is sourced from PubChem (CID 146263241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).