1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene

C25H26O2 — CID 68986877

IUPAC1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene
SMILESCCc1ccc(Cc2ccc(C=COC)cc2OCc2ccccc2)cc1
InChIInChI=1S/C25H26O2/c1-3-20-9-11-21(12-10-20)17-24-14-13-22(15-16-26-2)18-25(24)27-19-23-7-5-4-6-8-23/h4-16,18H,3,17,19H2,1-2H3
InChIKeySXIQBRSJOPSHEM-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.04
Rot. Bonds8

About 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene

1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene (PubChem CID 68986877) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene
PubChem CID68986877
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene
SMILESCCc1ccc(Cc2ccc(C=COC)cc2OCc2ccccc2)cc1
InChIInChI=1S/C25H26O2/c1-3-20-9-11-21(12-10-20)17-24-14-13-22(15-16-26-2)18-25(24)27-19-23-7-5-4-6-8-23/h4-16,18H,3,17,19H2,1-2H3
InChIKeySXIQBRSJOPSHEM-UHFFFAOYSA-N
XLogP6.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]-2-phenylmethoxybenzene
CID 68987704
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
CID 59243503
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188948
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
2-[4-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23757866

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene (CID 68986877) is 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene is CCc1ccc(Cc2ccc(C=COC)cc2OCc2ccccc2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene?
The InChIKey is SXIQBRSJOPSHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-3-20-9-11-21(12-10-20)17-24-14-13-22(15-16-26-2)18-25(24)27-19-23-7-5-4-6-8-23/h4-16,18H,3,17,19H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene?
1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene has a molecular weight of 358.48 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 68986877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).