1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene

C14H15BrO2 — CID 129405594

IUPAC1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene
SMILESCO[C@@H](CBr)COc1cccc2ccccc12
InChIInChI=1S/C14H15BrO2/c1-16-12(9-15)10-17-14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3/t12-/m0/s1
InChIKeyODYAKZKDIABYOD-LBPRGKRZSA-N
MW295.18 g/mol
LogP3.63
Rot. Bonds5

About 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene

1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene (PubChem CID 129405594) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene.

Molecular Properties

Compound Name1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene
PubChem CID129405594
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene
SMILESCO[C@@H](CBr)COc1cccc2ccccc12
InChIInChI=1S/C14H15BrO2/c1-16-12(9-15)10-17-14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3/t12-/m0/s1
InChIKeyODYAKZKDIABYOD-LBPRGKRZSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2-phenylpropoxy)naphthalene
CID 65014508
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
1-methoxy-N-methyl-3-naphthalen-1-yloxypropan-2-amine
CID 107506599
[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 102063111
2-hydroperoxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine;hydrochloride
CID 90469824
1-(3-methoxyphenyl)-2-naphthalen-1-yloxyethanamine
CID 16788018
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
CID 18529256
N-methyl-3-naphthalen-1-yloxy-N-propan-2-yl-2-trimethylsilyloxypropan-1-amine
CID 91698910
lithium;1-ethoxynaphthalene;hydride
CID 174613942
N-ethyl-2-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 62460664
[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 11077480

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene?
The IUPAC name of 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene (CID 129405594) is 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene.
What is the SMILES notation for 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene?
The canonical SMILES for 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene is CO[C@@H](CBr)COc1cccc2ccccc12.
What is the InChIKey of 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene?
The InChIKey is ODYAKZKDIABYOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15BrO2/c1-16-12(9-15)10-17-14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene?
1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene has a molecular weight of 295.18 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene is sourced from PubChem (CID 129405594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).