1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)

C131H136O23 — CID 157460440

About 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)

1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone) (PubChem CID 157460440) has the molecular formula C131H136O23 and a molecular weight of 2078.51 g/mol. Its IUPAC name is 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone).

Molecular Properties

• Compound Name: 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)
• PubChem CID: 157460440
• Molecular Formula: C131H136O23
• Molecular Weight: 2078.51 g/mol
• Exact Mass: 2076.95
• IUPAC Name: 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)
• SMILES: CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc2cc(C(C)=O)ccc2c1.CCc1ccc(OC)cc1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(OC)cc1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccccc1C(C)=O
• InChI: InChI=1S/2C14H14O2.C14H12O2.2C13H12O2.C10H10O2.4C9H10O2.C9H12O.C8H10O2/c2*1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-9(15)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;2*1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-7(11)9-3-5-10(6-4-9)8(2)12;3*1-7(10)8-3-5-9(11-2)6-4-8;1-7(10)8-5-3-4-6-9(8)11-2;1-3-8-4-6-9(10-2)7-5-8;1-9-7-3-5-8(10-2)6-4-7/h2*3-10H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;4*3-6H,1-2H3;4-7H,3H2,1-2H3;3-6H,1-2H3
• InChIKey: BTVYRAPZRXGWDP-UHFFFAOYSA-N
• XLogP: 29.73
• TPSA: 290.69 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.51
LogP ≤ 5	29.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)?

The IUPAC name of 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone) (CID 157460440) is 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone).

What is the SMILES notation for 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)?

The canonical SMILES for 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone) is CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc2cc(C(C)=O)ccc2c1.CCc1ccc(OC)cc1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(OC)cc1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccccc1C(C)=O.

What is the InChIKey of 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)?

The InChIKey is BTVYRAPZRXGWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14O2.C14H12O2.2C13H12O2.C10H10O2.4C9H10O2.C9H12O.C8H10O2/c2*1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-9(15)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;2*1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-7(11)9-3-5-10(6-4-9)8(2)12;3*1-7(10)8-3-5-9(11-2)6-4-8;1-7(10)8-5-3-4-6-9(8)11-2;1-3-8-4-6-9(10-2)7-5-8;1-9-7-3-5-8(10-2)6-4-7/h2*3-10H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;4*3-6H,1-2H3;4-7H,3H2,1-2H3;3-6H,1-2H3.

What are the key properties of 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)?

1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone) has a molecular weight of 2078.51 g/mol, XLogP of 29.73, 26 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone) is sourced from PubChem (CID 157460440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).