1-bromo-4-methoxynaphthalene;ethane

C13H15BrO — CID 143974048

IUPAC1-bromo-4-methoxynaphthalene;ethane
SMILESCC.COc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H9BrO.C2H6/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;1-2/h2-7H,1H3;1-2H3
InChIKeyJECGKIFBOWCVKE-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.64
Rot. Bonds1

About 1-bromo-4-methoxynaphthalene;ethane

1-bromo-4-methoxynaphthalene;ethane (PubChem CID 143974048) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-bromo-4-methoxynaphthalene;ethane.

Molecular Properties

Compound Name1-bromo-4-methoxynaphthalene;ethane
PubChem CID143974048
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name1-bromo-4-methoxynaphthalene;ethane
SMILESCC.COc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H9BrO.C2H6/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;1-2/h2-7H,1H3;1-2H3
InChIKeyJECGKIFBOWCVKE-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibromonaphthalene
CID 162208061
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1-bromo-2-methoxybenzene;ethane
CID 91096433
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1-chloro-4-methoxynaphthalene
CID 606038
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
CID 14147524
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
1-bromo-4-methoxynaphthalen-2-amine
CID 13160423
2,5-dibromo-8-methoxyquinoline
CID 102941160

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxynaphthalene;ethane?
The IUPAC name of 1-bromo-4-methoxynaphthalene;ethane (CID 143974048) is 1-bromo-4-methoxynaphthalene;ethane.
What is the SMILES notation for 1-bromo-4-methoxynaphthalene;ethane?
The canonical SMILES for 1-bromo-4-methoxynaphthalene;ethane is CC.COc1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-methoxynaphthalene;ethane?
The InChIKey is JECGKIFBOWCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO.C2H6/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;1-2/h2-7H,1H3;1-2H3.
What are the key properties of 1-bromo-4-methoxynaphthalene;ethane?
1-bromo-4-methoxynaphthalene;ethane has a molecular weight of 267.17 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxynaphthalene;ethane is sourced from PubChem (CID 143974048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).