methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate

C23H20O4 — CID 146165919

IUPACmethyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(-c3ccc(OC)cc3)cc2C(C)=O)cc1
InChIInChI=1S/C23H20O4/c1-15(24)22-14-19(16-8-11-20(26-2)12-9-16)10-13-21(22)17-4-6-18(7-5-17)23(25)27-3/h4-14H,1-3H3
InChIKeyPWACDVDZORDAGO-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.02
Rot. Bonds5

About methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate

methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate (PubChem CID 146165919) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate
PubChem CID146165919
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Namemethyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(-c3ccc(OC)cc3)cc2C(C)=O)cc1
InChIInChI=1S/C23H20O4/c1-15(24)22-14-19(16-8-11-20(26-2)12-9-16)10-13-21(22)17-4-6-18(7-5-17)23(25)27-3/h4-14H,1-3H3
InChIKeyPWACDVDZORDAGO-UHFFFAOYSA-N
XLogP5.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
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methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate
CID 71559881
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CID 14570120
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate?
The IUPAC name of methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate (CID 146165919) is methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate.
What is the SMILES notation for methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate?
The canonical SMILES for methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate is COC(=O)c1ccc(-c2ccc(-c3ccc(OC)cc3)cc2C(C)=O)cc1.
What is the InChIKey of methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate?
The InChIKey is PWACDVDZORDAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-15(24)22-14-19(16-8-11-20(26-2)12-9-16)10-13-21(22)17-4-6-18(7-5-17)23(25)27-3/h4-14H,1-3H3.
What are the key properties of methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate?
methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate has a molecular weight of 360.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate is sourced from PubChem (CID 146165919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).