2-(3-bromopropoxy)naphthalene

C13H13BrO — CID 4113672

IUPAC2-(3-bromopropoxy)naphthalene
SMILESBrCCCOc1ccc2ccccc2c1
InChIInChI=1S/C13H13BrO/c14-8-3-9-15-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9H2
InChIKeyVOHRIBRQYLSFCF-UHFFFAOYSA-N
MW265.15 g/mol
LogP4.00
Rot. Bonds4

About 2-(3-bromopropoxy)naphthalene

2-(3-bromopropoxy)naphthalene (PubChem CID 4113672) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-(3-bromopropoxy)naphthalene.

Molecular Properties

Compound Name2-(3-bromopropoxy)naphthalene
PubChem CID4113672
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name2-(3-bromopropoxy)naphthalene
SMILESBrCCCOc1ccc2ccccc2c1
InChIInChI=1S/C13H13BrO/c14-8-3-9-15-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9H2
InChIKeyVOHRIBRQYLSFCF-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropoxy)naphthalene?
The IUPAC name of 2-(3-bromopropoxy)naphthalene (CID 4113672) is 2-(3-bromopropoxy)naphthalene.
What is the SMILES notation for 2-(3-bromopropoxy)naphthalene?
The canonical SMILES for 2-(3-bromopropoxy)naphthalene is BrCCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-bromopropoxy)naphthalene?
The InChIKey is VOHRIBRQYLSFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c14-8-3-9-15-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9H2.
What are the key properties of 2-(3-bromopropoxy)naphthalene?
2-(3-bromopropoxy)naphthalene has a molecular weight of 265.15 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropoxy)naphthalene is sourced from PubChem (CID 4113672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).