1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone

C25H26O4 — CID 58914630

IUPAC1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCCc1cc(C(=O)Cc2ccc(OC)cc2)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C25H26O4/c1-4-20-15-22(23(26)14-18-10-12-21(27-2)13-11-18)25(16-24(20)28-3)29-17-19-8-6-5-7-9-19/h5-13,15-16H,4,14,17H2,1-3H3
InChIKeyWOOKIJMRTIRKLT-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.27
Rot. Bonds9

About 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone

1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 58914630) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID58914630
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCCc1cc(C(=O)Cc2ccc(OC)cc2)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C25H26O4/c1-4-20-15-22(23(26)14-18-10-12-21(27-2)13-11-18)25(16-24(20)28-3)29-17-19-8-6-5-7-9-19/h5-13,15-16H,4,14,17H2,1-3H3
InChIKeyWOOKIJMRTIRKLT-UHFFFAOYSA-N
XLogP5.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
1-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]butane-1,3-dione
CID 90811092
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 144761231
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone (CID 58914630) is 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone is CCc1cc(C(=O)Cc2ccc(OC)cc2)c(OCc2ccccc2)cc1OC.
What is the InChIKey of 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is WOOKIJMRTIRKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-4-20-15-22(23(26)14-18-10-12-21(27-2)13-11-18)25(16-24(20)28-3)29-17-19-8-6-5-7-9-19/h5-13,15-16H,4,14,17H2,1-3H3.
What are the key properties of 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 390.48 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 58914630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).