6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene

C13H12BrClO2 — CID 139902326

IUPAC6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene
SMILESCOCCOc1ccc2cc(Br)ccc2c1Cl
InChIInChI=1S/C13H12BrClO2/c1-16-6-7-17-12-5-2-9-8-10(14)3-4-11(9)13(12)15/h2-5,8H,6-7H2,1H3
InChIKeyRISTWOYFDFWDGO-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.28
Rot. Bonds4

About 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene

6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene (PubChem CID 139902326) has the molecular formula C13H12BrClO2 and a molecular weight of 315.59 g/mol. Its IUPAC name is 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene.

Molecular Properties

Compound Name6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene
PubChem CID139902326
Molecular FormulaC13H12BrClO2
Molecular Weight315.59 g/mol
Exact Mass313.97
IUPAC Name6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene
SMILESCOCCOc1ccc2cc(Br)ccc2c1Cl
InChIInChI=1S/C13H12BrClO2/c1-16-6-7-17-12-5-2-9-8-10(14)3-4-11(9)13(12)15/h2-5,8H,6-7H2,1H3
InChIKeyRISTWOYFDFWDGO-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.28
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

6-bromo-1-[6-bromo-2-(2-methoxyethoxymethoxy)naphthalen-1-yl]-2-(2-methoxyethoxymethoxy)naphthalene
CID 139199177
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene
CID 43141619
6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene
CID 86206500
9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene
CID 132511511
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
6-bromo-1-(6-bromo-2-dodecoxynaphthalen-1-yl)-2-dodecoxynaphthalene
CID 102477251
2-chloro-1,3-bis(2-methoxyethoxy)-4-methylsulfonylbenzene
CID 22011430
6-bromo-2-methoxynaphthalen-1-amine
CID 54370275
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
2-[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenoxy]acetonitrile
CID 155271031
2-(4-bromo-2-chlorophenoxy)ethyl-(3-methoxypropyl)azanium
CID 2580783

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene?
The IUPAC name of 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene (CID 139902326) is 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene.
What is the SMILES notation for 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene?
The canonical SMILES for 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene is COCCOc1ccc2cc(Br)ccc2c1Cl.
What is the InChIKey of 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene?
The InChIKey is RISTWOYFDFWDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClO2/c1-16-6-7-17-12-5-2-9-8-10(14)3-4-11(9)13(12)15/h2-5,8H,6-7H2,1H3.
What are the key properties of 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene?
6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene has a molecular weight of 315.59 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene is sourced from PubChem (CID 139902326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).