ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene

C53H64O4 — CID 157277221

IUPACethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene
SMILESC=Cc1ccccc1.C=Cc1ccccc1.CC.CC.COc1c(C)cc(Oc2ccc(C(C)(C)c3ccc(Oc4cc(C)c(OC)c(C)c4)cc3)cc2)cc1C
InChIInChI=1S/C33H36O4.2C8H8.2C2H6/c1-21-17-29(18-22(2)31(21)34-7)36-27-13-9-25(10-14-27)33(5,6)26-11-15-28(16-12-26)37-30-19-23(3)32(35-8)24(4)20-30;2*1-2-8-6-4-3-5-7-8;2*1-2/h9-20H,1-8H3;2*2-7H,1H2;2*1-2H3
InChIKeyAZGAWXIFPDAZAK-UHFFFAOYSA-N
MW765.09 g/mol
LogP15.56
Rot. Bonds10

About ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene

ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene (PubChem CID 157277221) has the molecular formula C53H64O4 and a molecular weight of 765.09 g/mol. Its IUPAC name is ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene.

Molecular Properties

Compound Nameethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene
PubChem CID157277221
Molecular FormulaC53H64O4
Molecular Weight765.09 g/mol
Exact Mass764.48
IUPAC Nameethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene
SMILESC=Cc1ccccc1.C=Cc1ccccc1.CC.CC.COc1c(C)cc(Oc2ccc(C(C)(C)c3ccc(Oc4cc(C)c(OC)c(C)c4)cc3)cc2)cc1C
InChIInChI=1S/C33H36O4.2C8H8.2C2H6/c1-21-17-29(18-22(2)31(21)34-7)36-27-13-9-25(10-14-27)33(5,6)26-11-15-28(16-12-26)37-30-19-23(3)32(35-8)24(4)20-30;2*1-2-8-6-4-3-5-7-8;2*1-2/h9-20H,1-8H3;2*2-7H,1H2;2*1-2H3
InChIKeyAZGAWXIFPDAZAK-UHFFFAOYSA-N
XLogP15.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.09
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
5-(4-ethenylphenoxy)-1,2,3-trimethoxybenzene
CID 130377348
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
1-tert-butyl-3-(4-ethenylphenoxy)benzene
CID 155466974
benzene;ethane;styrene
CID 21219610
1-(4-ethenylphenoxy)-3,5-dimethylbenzene
CID 141340670
2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene
CID 130186695
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
chloromethane;styrene
CID 122701035
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene
CID 19885717
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158211883

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene?
The IUPAC name of ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene (CID 157277221) is ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene.
What is the SMILES notation for ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene?
The canonical SMILES for ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene is C=Cc1ccccc1.C=Cc1ccccc1.CC.CC.COc1c(C)cc(Oc2ccc(C(C)(C)c3ccc(Oc4cc(C)c(OC)c(C)c4)cc3)cc2)cc1C.
What is the InChIKey of ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene?
The InChIKey is AZGAWXIFPDAZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O4.2C8H8.2C2H6/c1-21-17-29(18-22(2)31(21)34-7)36-27-13-9-25(10-14-27)33(5,6)26-11-15-28(16-12-26)37-30-19-23(3)32(35-8)24(4)20-30;2*1-2-8-6-4-3-5-7-8;2*1-2/h9-20H,1-8H3;2*2-7H,1H2;2*1-2H3.
What are the key properties of ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene?
ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene has a molecular weight of 765.09 g/mol, XLogP of 15.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene is sourced from PubChem (CID 157277221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).