2-(3-methoxypropyl)naphthalene

C14H16O — CID 11469714

IUPAC2-(3-methoxypropyl)naphthalene
SMILESCOCCCc1ccc2ccccc2c1
InChIInChI=1S/C14H16O/c1-15-10-4-5-12-8-9-13-6-2-3-7-14(13)11-12/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyYVPLKTBIXOIPQO-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.42
Rot. Bonds4

About 2-(3-methoxypropyl)naphthalene

2-(3-methoxypropyl)naphthalene (PubChem CID 11469714) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(3-methoxypropyl)naphthalene.

Molecular Properties

Compound Name2-(3-methoxypropyl)naphthalene
PubChem CID11469714
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-(3-methoxypropyl)naphthalene
SMILESCOCCCc1ccc2ccccc2c1
InChIInChI=1S/C14H16O/c1-15-10-4-5-12-8-9-13-6-2-3-7-14(13)11-12/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyYVPLKTBIXOIPQO-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)naphthalene?
The IUPAC name of 2-(3-methoxypropyl)naphthalene (CID 11469714) is 2-(3-methoxypropyl)naphthalene.
What is the SMILES notation for 2-(3-methoxypropyl)naphthalene?
The canonical SMILES for 2-(3-methoxypropyl)naphthalene is COCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-methoxypropyl)naphthalene?
The InChIKey is YVPLKTBIXOIPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-15-10-4-5-12-8-9-13-6-2-3-7-14(13)11-12/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 2-(3-methoxypropyl)naphthalene?
2-(3-methoxypropyl)naphthalene has a molecular weight of 200.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)naphthalene is sourced from PubChem (CID 11469714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).