4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene

C42H42O2 — CID 139603519

IUPAC4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene
SMILESC=Cc1ccc(C(C)Cc2cccc(CC(C)c3ccc(C=C)cc3OCc3ccccc3)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C42H42O2/c1-5-33-20-22-39(41(27-33)43-29-35-14-9-7-10-15-35)31(3)24-37-18-13-19-38(26-37)25-32(4)40-23-21-34(6-2)28-42(40)44-30-36-16-11-8-12-17-36/h5-23,26-28,31-32H,1-2,24-25,29-30H2,3-4H3
InChIKeyAOKQRWTUFVLMPB-UHFFFAOYSA-N
MW578.80 g/mol
LogP10.82
Rot. Bonds14

About 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene

4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene (PubChem CID 139603519) has the molecular formula C42H42O2 and a molecular weight of 578.80 g/mol. Its IUPAC name is 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene.

Molecular Properties

Compound Name4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene
PubChem CID139603519
Molecular FormulaC42H42O2
Molecular Weight578.80 g/mol
Exact Mass578.32
IUPAC Name4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene
SMILESC=Cc1ccc(C(C)Cc2cccc(CC(C)c3ccc(C=C)cc3OCc3ccccc3)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C42H42O2/c1-5-33-20-22-39(41(27-33)43-29-35-14-9-7-10-15-35)31(3)24-37-18-13-19-38(26-37)25-32(4)40-23-21-34(6-2)28-42(40)44-30-36-16-11-8-12-17-36/h5-23,26-28,31-32H,1-2,24-25,29-30H2,3-4H3
InChIKeyAOKQRWTUFVLMPB-UHFFFAOYSA-N
XLogP10.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
CID 155293536
4-ethenyl-2-(3-methylphenyl)-1-phenylmethoxybenzene
CID 172879772
3-[2,4-bis(phenylmethoxy)phenyl]butanal
CID 138513595
2-[[4-[[3-(2-methylpropyl)phenyl]methoxy]-3-phenylmethoxyphenyl]methylideneamino]ethanol
CID 170118423
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene
CID 163960697
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene?
The IUPAC name of 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene (CID 139603519) is 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene.
What is the SMILES notation for 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene?
The canonical SMILES for 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene is C=Cc1ccc(C(C)Cc2cccc(CC(C)c3ccc(C=C)cc3OCc3ccccc3)c2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene?
The InChIKey is AOKQRWTUFVLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42O2/c1-5-33-20-22-39(41(27-33)43-29-35-14-9-7-10-15-35)31(3)24-37-18-13-19-38(26-37)25-32(4)40-23-21-34(6-2)28-42(40)44-30-36-16-11-8-12-17-36/h5-23,26-28,31-32H,1-2,24-25,29-30H2,3-4H3.
What are the key properties of 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene?
4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene has a molecular weight of 578.80 g/mol, XLogP of 10.82, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene is sourced from PubChem (CID 139603519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).