[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate

C20H20O5 — CID 139527455

IUPAC[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)CC)c(OC)c2)cc1
InChIInChI=1S/C20H20O5/c1-5-19(21)25-17-11-8-15(12-18(17)23-4)14-6-9-16(10-7-14)24-20(22)13(2)3/h6-12H,2,5H2,1,3-4H3
InChIKeyUKONSYHTSHKSOW-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.16
Rot. Bonds6

About [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate

[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 139527455) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
PubChem CID139527455
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)CC)c(OC)c2)cc1
InChIInChI=1S/C20H20O5/c1-5-19(21)25-17-11-8-15(12-18(17)23-4)14-6-9-16(10-7-14)24-20(22)13(2)3/h6-12H,2,5H2,1,3-4H3
InChIKeyUKONSYHTSHKSOW-UHFFFAOYSA-N
XLogP4.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 170072293
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
[4-[3-(4-propanoyloxyphenyl)-5-prop-1-en-2-ylphenyl]phenyl] 2-methylprop-2-enoate
CID 146659672
[4-[3-methoxy-4-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] 2,2-dimethylpropanoate
CID 138636794
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 3-methylbut-3-enoate
CID 145418981
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
[4-[4-(2-fluoro-4-propanoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 146508311
[2-[4-(2-methylprop-2-enoyloxy)phenyl]-5-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylpropanoate
CID 144772065
[2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] (E)-2-methylbut-2-enoate
CID 118907377
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[(Z)-2-methylbut-2-enoyl]oxyphenyl] (Z)-2-methylbut-2-enoate
CID 118907637
[5-[4-[3-[(Z)-2-methylbut-2-enoyl]oxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] (Z)-2-methylbut-2-enoate
CID 118907630

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate (CID 139527455) is [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)CC)c(OC)c2)cc1.
What is the InChIKey of [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is UKONSYHTSHKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-5-19(21)25-17-11-8-15(12-18(17)23-4)14-6-9-16(10-7-14)24-20(22)13(2)3/h6-12H,2,5H2,1,3-4H3.
What are the key properties of [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139527455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).