2-bromo-6-(4-bromobutoxy)naphthalene

C14H14Br2O — CID 43165163

IUPAC2-bromo-6-(4-bromobutoxy)naphthalene
SMILESBrCCCCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14Br2O/c15-7-1-2-8-17-14-6-4-11-9-13(16)5-3-12(11)10-14/h3-6,9-10H,1-2,7-8H2
InChIKeyDVISMENRMYWVHG-UHFFFAOYSA-N
MW358.07 g/mol
LogP5.16
Rot. Bonds5

About 2-bromo-6-(4-bromobutoxy)naphthalene

2-bromo-6-(4-bromobutoxy)naphthalene (PubChem CID 43165163) has the molecular formula C14H14Br2O and a molecular weight of 358.07 g/mol. Its IUPAC name is 2-bromo-6-(4-bromobutoxy)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(4-bromobutoxy)naphthalene
PubChem CID43165163
Molecular FormulaC14H14Br2O
Molecular Weight358.07 g/mol
Exact Mass355.94
IUPAC Name2-bromo-6-(4-bromobutoxy)naphthalene
SMILESBrCCCCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14Br2O/c15-7-1-2-8-17-14-6-4-11-9-13(16)5-3-12(11)10-14/h3-6,9-10H,1-2,7-8H2
InChIKeyDVISMENRMYWVHG-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.07
LogP ≤ 55.16
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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Related Compounds

2-(9-bromononoxy)naphthalene
CID 105343234
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
2-(9-bromononoxy)-6-methylnaphthalene
CID 118670324
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895
1,2-dibromo-4-(6-bromohexoxy)benzene
CID 141347464
2-bromo-7-ethoxynaphthalene
CID 22240149
6-[6-(6-bromonaphthalen-2-yl)oxyhexylsulfonyl]hexan-1-ol
CID 70163219
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
1,3-bis(10-bromodecoxy)benzene
CID 11800753
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634
N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-bromobutoxy)naphthalene?
The IUPAC name of 2-bromo-6-(4-bromobutoxy)naphthalene (CID 43165163) is 2-bromo-6-(4-bromobutoxy)naphthalene.
What is the SMILES notation for 2-bromo-6-(4-bromobutoxy)naphthalene?
The canonical SMILES for 2-bromo-6-(4-bromobutoxy)naphthalene is BrCCCCOc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-(4-bromobutoxy)naphthalene?
The InChIKey is DVISMENRMYWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O/c15-7-1-2-8-17-14-6-4-11-9-13(16)5-3-12(11)10-14/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 2-bromo-6-(4-bromobutoxy)naphthalene?
2-bromo-6-(4-bromobutoxy)naphthalene has a molecular weight of 358.07 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-bromobutoxy)naphthalene is sourced from PubChem (CID 43165163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).