1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene

C21H15BrO2 — CID 102526122

IUPAC1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
SMILESBrc1c(OCOc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C21H15BrO2/c22-21-18-10-4-2-7-16(18)12-13-20(21)24-14-23-19-11-5-8-15-6-1-3-9-17(15)19/h1-13H,14H2
InChIKeySHQFFPWQTNCXPN-UHFFFAOYSA-N
MW379.25 g/mol
LogP6.17
Rot. Bonds4

About 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene

1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene (PubChem CID 102526122) has the molecular formula C21H15BrO2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
PubChem CID102526122
Molecular FormulaC21H15BrO2
Molecular Weight379.25 g/mol
Exact Mass378.03
IUPAC Name1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
SMILESBrc1c(OCOc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C21H15BrO2/c22-21-18-10-4-2-7-16(18)12-13-20(21)24-14-23-19-11-5-8-15-6-1-3-9-17(15)19/h1-13H,14H2
InChIKeySHQFFPWQTNCXPN-UHFFFAOYSA-N
XLogP6.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.25
LogP ≤ 56.17
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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Related Compounds

N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513120
1-bromo-2-nonoxynaphthalene
CID 63529773
1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60623254
1-bromo-2-(3-methylbut-3-enoxy)naphthalene
CID 114472659
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
3-[(1-bromonaphthalen-2-yl)oxymethyl]benzonitrile
CID 60623214
1-bromo-2-[[1-(bromomethyl)cyclohexyl]methoxy]naphthalene
CID 65001798
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
CID 78909521
3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79626901
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene?
The IUPAC name of 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene (CID 102526122) is 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene.
What is the SMILES notation for 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene?
The canonical SMILES for 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene is Brc1c(OCOc2cccc3ccccc23)ccc2ccccc12.
What is the InChIKey of 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene?
The InChIKey is SHQFFPWQTNCXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrO2/c22-21-18-10-4-2-7-16(18)12-13-20(21)24-14-23-19-11-5-8-15-6-1-3-9-17(15)19/h1-13H,14H2.
What are the key properties of 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene?
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene has a molecular weight of 379.25 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene is sourced from PubChem (CID 102526122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).