1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene

C15H15BrO2 — CID 170002473

IUPAC1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene
SMILESCOCOc1cc(Br)c2c(C3CC3)cccc2c1
InChIInChI=1S/C15H15BrO2/c1-17-9-18-12-7-11-3-2-4-13(10-5-6-10)15(11)14(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyNQXONPDBSMKZPA-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.46
Rot. Bonds4

About 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene

1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene (PubChem CID 170002473) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene
PubChem CID170002473
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene
SMILESCOCOc1cc(Br)c2c(C3CC3)cccc2c1
InChIInChI=1S/C15H15BrO2/c1-17-9-18-12-7-11-3-2-4-13(10-5-6-10)15(11)14(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyNQXONPDBSMKZPA-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene?
The IUPAC name of 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene (CID 170002473) is 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene.
What is the SMILES notation for 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene?
The canonical SMILES for 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene is COCOc1cc(Br)c2c(C3CC3)cccc2c1.
What is the InChIKey of 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene?
The InChIKey is NQXONPDBSMKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-17-9-18-12-7-11-3-2-4-13(10-5-6-10)15(11)14(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3.
What are the key properties of 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene?
1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene has a molecular weight of 307.19 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene is sourced from PubChem (CID 170002473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).