1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone

C81H76Br2O12 — CID 159483117

IUPAC1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc(Br)c2cc(C(C)=O)cc(Br)c2c1.CC(=O)c1ccc2cc(C(C)=O)ccc2c1.COc1cc(C)c2cc(OC)cc(C)c2c1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1C.COc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C14H10Br2O2.C14H16O2.C14H14O2.C14H12O2.C13H12O2.C12H12O2/c1-7(17)9-3-11-12(13(15)5-9)4-10(8(2)18)6-14(11)16;1-9-5-11(15-3)8-14-10(2)6-12(16-4)7-13(9)14;1-9-13-6-4-11(10(2)15)8-12(13)5-7-14(9)16-3;1-9(15)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-6H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3
InChIKeyLXGBPRKCZWFCCV-UHFFFAOYSA-N
MW1401.29 g/mol
LogP20.76
Rot. Bonds12

About 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone

1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone (PubChem CID 159483117) has the molecular formula C81H76Br2O12 and a molecular weight of 1401.29 g/mol. Its IUPAC name is 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone
PubChem CID159483117
Molecular FormulaC81H76Br2O12
Molecular Weight1401.29 g/mol
Exact Mass1398.37
IUPAC Name1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc(Br)c2cc(C(C)=O)cc(Br)c2c1.CC(=O)c1ccc2cc(C(C)=O)ccc2c1.COc1cc(C)c2cc(OC)cc(C)c2c1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1C.COc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C14H10Br2O2.C14H16O2.C14H14O2.C14H12O2.C13H12O2.C12H12O2/c1-7(17)9-3-11-12(13(15)5-9)4-10(8(2)18)6-14(11)16;1-9-5-11(15-3)8-14-10(2)6-12(16-4)7-13(9)14;1-9-13-6-4-11(10(2)15)8-12(13)5-7-14(9)16-3;1-9(15)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-6H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3
InChIKeyLXGBPRKCZWFCCV-UHFFFAOYSA-N
XLogP20.76
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.29
LogP ≤ 520.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone with MolForge

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Related Compounds

1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
6-methoxy-8-methylnaphthalene-2-carboxylic acid
CID 91342248
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032
1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone
CID 163524039
1-(4-acetyl-3-bromophenyl)ethanone;1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-[4-(4-acetyl-2-methylphenyl)-3-methylphenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;2-chloro-1,4-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;bis(1,4-dimethoxy-2-methylbenzene);2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(4-methoxyphenyl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone;1,2,4,5-tetrafluoro-3-methoxy-6-(2,3,5,6-tetrafluoro-4-methoxyphenyl)benzene
CID 158660294
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
CID 62909860
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
(1-tert-butyl-6-methoxynaphthalen-2-yl) acetate
CID 172766111
1,3,7-trimethoxynaphthalene
CID 102088907
1-(5-methoxynaphthalen-1-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone;1-(3-methoxyphenyl)ethanone;bis(1-(4-methoxyphenyl)ethanone);1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 159692280

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone (CID 159483117) is 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone is CC(=O)c1cc(Br)c2cc(C(C)=O)cc(Br)c2c1.CC(=O)c1ccc2cc(C(C)=O)ccc2c1.COc1cc(C)c2cc(OC)cc(C)c2c1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1C.COc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone?
The InChIKey is LXGBPRKCZWFCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O2.C14H16O2.C14H14O2.C14H12O2.C13H12O2.C12H12O2/c1-7(17)9-3-11-12(13(15)5-9)4-10(8(2)18)6-14(11)16;1-9-5-11(15-3)8-14-10(2)6-12(16-4)7-13(9)14;1-9-13-6-4-11(10(2)15)8-12(13)5-7-14(9)16-3;1-9(15)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-6H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3.
What are the key properties of 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone?
1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone has a molecular weight of 1401.29 g/mol, XLogP of 20.76, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-4,8-dibromonaphthalen-2-yl)ethanone;1-(6-acetylnaphthalen-2-yl)ethanone;3,7-dimethoxy-1,5-dimethylnaphthalene;2,6-dimethoxynaphthalene;1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 159483117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).