1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone

C70H74F2O13 — CID 160899105

IUPAC1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone
SMILESCC(=O)c1cc(C(C)=O)cc(C(C)=O)c1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2F)c(F)c1.COCC(C)OC.COc1ccc(-c2ccc(C(C)=O)cc2)cc1.COc1ccc(C)cc1OC.COc1ccc2cc(C(C)=O)ccc2c1
InChIInChI=1S/C16H12F2O2.C15H14O2.C13H12O2.C12H12O3.C9H12O2.C5H12O2/c1-9(19)11-3-5-13(15(17)7-11)14-6-4-12(10(2)20)8-16(14)18;1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15;1-7-4-5-8(10-2)9(6-7)11-3;1-5(7-3)4-6-2/h3-8H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;5H,4H2,1-3H3
InChIKeySPGMRXFDFRLSGV-UHFFFAOYSA-N
MW1161.34 g/mol
LogP15.63
Rot. Bonds16

About 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone

1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone (PubChem CID 160899105) has the molecular formula C70H74F2O13 and a molecular weight of 1161.34 g/mol. Its IUPAC name is 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone
PubChem CID160899105
Molecular FormulaC70H74F2O13
Molecular Weight1161.34 g/mol
Exact Mass1160.51
IUPAC Name1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone
SMILESCC(=O)c1cc(C(C)=O)cc(C(C)=O)c1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2F)c(F)c1.COCC(C)OC.COc1ccc(-c2ccc(C(C)=O)cc2)cc1.COc1ccc(C)cc1OC.COc1ccc2cc(C(C)=O)ccc2c1
InChIInChI=1S/C16H12F2O2.C15H14O2.C13H12O2.C12H12O3.C9H12O2.C5H12O2/c1-9(19)11-3-5-13(15(17)7-11)14-6-4-12(10(2)20)8-16(14)18;1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15;1-7-4-5-8(10-2)9(6-7)11-3;1-5(7-3)4-6-2/h3-8H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;5H,4H2,1-3H3
InChIKeySPGMRXFDFRLSGV-UHFFFAOYSA-N
XLogP15.63
TPSA174.87 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.34
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone with MolForge

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Related Compounds

1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
CID 90686409
1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 158634652
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 158679690
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
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
1-(4-acetylphenyl)ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxybenzene;dimethoxymethane;methane;1-(6-methoxynaphthalen-2-yl)ethanone;4-(4-methoxyphenyl)but-3-en-2-one
CID 161050153
1-[4-[2-(2-methoxy-4-methylphenoxy)ethylsulfanyl]phenyl]ethanone
CID 94780517
1-methoxy-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;1-methyl-4-(4-methylsulfanylphenyl)benzene;1-(4-methylphenyl)ethanone;molecular oxygen
CID 161053566
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
1-[3-fluoro-4-(4-methoxybutan-2-yloxy)phenyl]ethanone
CID 115687961
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone (CID 160899105) is 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone is CC(=O)c1cc(C(C)=O)cc(C(C)=O)c1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2F)c(F)c1.COCC(C)OC.COc1ccc(-c2ccc(C(C)=O)cc2)cc1.COc1ccc(C)cc1OC.COc1ccc2cc(C(C)=O)ccc2c1.
What is the InChIKey of 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone?
The InChIKey is SPGMRXFDFRLSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2.C15H14O2.C13H12O2.C12H12O3.C9H12O2.C5H12O2/c1-9(19)11-3-5-13(15(17)7-11)14-6-4-12(10(2)20)8-16(14)18;1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15;1-7-4-5-8(10-2)9(6-7)11-3;1-5(7-3)4-6-2/h3-8H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;5H,4H2,1-3H3.
What are the key properties of 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone?
1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone has a molecular weight of 1161.34 g/mol, XLogP of 15.63, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-2-fluorophenyl)-3-fluorophenyl]ethanone;1-(3,5-diacetylphenyl)ethanone;1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane;1-(6-methoxynaphthalen-2-yl)ethanone;1-[4-(4-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 160899105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).