1-bromo-2-(2-propoxyethoxy)naphthalene

C15H17BrO2 — CID 106452980

IUPAC1-bromo-2-(2-propoxyethoxy)naphthalene
SMILESCCCOCCOc1ccc2ccccc2c1Br
InChIInChI=1S/C15H17BrO2/c1-2-9-17-10-11-18-14-8-7-12-5-3-4-6-13(12)15(14)16/h3-8H,2,9-11H2,1H3
InChIKeyDDBTWJVXJZMNMY-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.41
Rot. Bonds6

About 1-bromo-2-(2-propoxyethoxy)naphthalene

1-bromo-2-(2-propoxyethoxy)naphthalene (PubChem CID 106452980) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-bromo-2-(2-propoxyethoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-2-(2-propoxyethoxy)naphthalene
PubChem CID106452980
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name1-bromo-2-(2-propoxyethoxy)naphthalene
SMILESCCCOCCOc1ccc2ccccc2c1Br
InChIInChI=1S/C15H17BrO2/c1-2-9-17-10-11-18-14-8-7-12-5-3-4-6-13(12)15(14)16/h3-8H,2,9-11H2,1H3
InChIKeyDDBTWJVXJZMNMY-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-nonoxynaphthalene
CID 63529773
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
CID 106454176
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
1-bromo-2-(3-methylbut-3-enoxy)naphthalene
CID 114472659
1-[2-[2-(1-bromonaphthalen-2-yl)oxyethoxy]ethyl]-1,2,4-triazole
CID 2199831
4-(1-bromonaphthalen-2-yl)oxy-N-butylbutan-1-amine;oxalic acid
CID 2923347
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
CID 63517046
1-ethyl-2-propoxynaphthalene
CID 129259410
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122
[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid
CID 61483476
1-methylsulfanyl-2-propoxynaphthalene
CID 91657285

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-propoxyethoxy)naphthalene?
The IUPAC name of 1-bromo-2-(2-propoxyethoxy)naphthalene (CID 106452980) is 1-bromo-2-(2-propoxyethoxy)naphthalene.
What is the SMILES notation for 1-bromo-2-(2-propoxyethoxy)naphthalene?
The canonical SMILES for 1-bromo-2-(2-propoxyethoxy)naphthalene is CCCOCCOc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-(2-propoxyethoxy)naphthalene?
The InChIKey is DDBTWJVXJZMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-2-9-17-10-11-18-14-8-7-12-5-3-4-6-13(12)15(14)16/h3-8H,2,9-11H2,1H3.
What are the key properties of 1-bromo-2-(2-propoxyethoxy)naphthalene?
1-bromo-2-(2-propoxyethoxy)naphthalene has a molecular weight of 309.20 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-propoxyethoxy)naphthalene is sourced from PubChem (CID 106452980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).