2-cyclopentyl-6-methoxynaphthalene

C16H18O — CID 67100251

IUPAC2-cyclopentyl-6-methoxynaphthalene
SMILESCOc1ccc2cc(C3CCCC3)ccc2c1
InChIInChI=1S/C16H18O/c1-17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-3-5-12/h6-12H,2-5H2,1H3
InChIKeyCOHAXPXDHHUETH-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.51
Rot. Bonds2

About 2-cyclopentyl-6-methoxynaphthalene

2-cyclopentyl-6-methoxynaphthalene (PubChem CID 67100251) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclopentyl-6-methoxynaphthalene.

Molecular Properties

Compound Name2-cyclopentyl-6-methoxynaphthalene
PubChem CID67100251
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2-cyclopentyl-6-methoxynaphthalene
SMILESCOc1ccc2cc(C3CCCC3)ccc2c1
InChIInChI=1S/C16H18O/c1-17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-3-5-12/h6-12H,2-5H2,1H3
InChIKeyCOHAXPXDHHUETH-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-methoxynaphthalene?
The IUPAC name of 2-cyclopentyl-6-methoxynaphthalene (CID 67100251) is 2-cyclopentyl-6-methoxynaphthalene.
What is the SMILES notation for 2-cyclopentyl-6-methoxynaphthalene?
The canonical SMILES for 2-cyclopentyl-6-methoxynaphthalene is COc1ccc2cc(C3CCCC3)ccc2c1.
What is the InChIKey of 2-cyclopentyl-6-methoxynaphthalene?
The InChIKey is COHAXPXDHHUETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-3-5-12/h6-12H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-6-methoxynaphthalene?
2-cyclopentyl-6-methoxynaphthalene has a molecular weight of 226.32 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-methoxynaphthalene is sourced from PubChem (CID 67100251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).