1-(3-bromo-2-phenylpropoxy)naphthalene

C19H17BrO — CID 65014508

IUPAC1-(3-bromo-2-phenylpropoxy)naphthalene
SMILESBrCC(COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17BrO/c20-13-17(15-7-2-1-3-8-15)14-21-19-12-6-10-16-9-4-5-11-18(16)19/h1-12,17H,13-14H2
InChIKeyILCQAQJWUNGYLI-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.40
Rot. Bonds5

About 1-(3-bromo-2-phenylpropoxy)naphthalene

1-(3-bromo-2-phenylpropoxy)naphthalene (PubChem CID 65014508) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(3-bromo-2-phenylpropoxy)naphthalene.

Molecular Properties

Compound Name1-(3-bromo-2-phenylpropoxy)naphthalene
PubChem CID65014508
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-(3-bromo-2-phenylpropoxy)naphthalene
SMILESBrCC(COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17BrO/c20-13-17(15-7-2-1-3-8-15)14-21-19-12-6-10-16-9-4-5-11-18(16)19/h1-12,17H,13-14H2
InChIKeyILCQAQJWUNGYLI-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene
CID 129405594
2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene
CID 65015891
1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene
CID 114267870
3-(3-bromo-2-phenylpropoxy)-2-nitropyridine
CID 65015898
1-(3-bromo-2-phenylpropoxy)-3-iodobenzene
CID 65015847
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
benzene;naphthalen-1-yloxymethanol
CID 70447137
1-bromo-4-(3-bromo-2-phenylpropoxy)-2-fluorobenzene
CID 65203700
1-(3-bromo-2-phenylpropoxy)-4-ethylbenzene
CID 65014507
1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol
CID 102321600
4-(3-bromo-2-phenylpropoxy)-1,2-difluorobenzene
CID 65015849
3-(2-bromophenoxy)-2-phenylpropan-1-amine
CID 117242959

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-phenylpropoxy)naphthalene?
The IUPAC name of 1-(3-bromo-2-phenylpropoxy)naphthalene (CID 65014508) is 1-(3-bromo-2-phenylpropoxy)naphthalene.
What is the SMILES notation for 1-(3-bromo-2-phenylpropoxy)naphthalene?
The canonical SMILES for 1-(3-bromo-2-phenylpropoxy)naphthalene is BrCC(COc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-(3-bromo-2-phenylpropoxy)naphthalene?
The InChIKey is ILCQAQJWUNGYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c20-13-17(15-7-2-1-3-8-15)14-21-19-12-6-10-16-9-4-5-11-18(16)19/h1-12,17H,13-14H2.
What are the key properties of 1-(3-bromo-2-phenylpropoxy)naphthalene?
1-(3-bromo-2-phenylpropoxy)naphthalene has a molecular weight of 341.25 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-phenylpropoxy)naphthalene is sourced from PubChem (CID 65014508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).