[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene

C21H22O4 — CID 144966682

IUPAC[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C(=O)Oc1ccc(-c2ccc(OC=O)cc2)cc1
InChIInChI=1S/C17H14O4.C4H8/c1-12(2)17(19)21-16-9-5-14(6-10-16)13-3-7-15(8-4-13)20-11-18;1-4(2)3/h3-11H,1H2,2H3;1H2,2-3H3
InChIKeyUYDUYRGGPZLWSY-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.95
Rot. Bonds5

About [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene

[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene (PubChem CID 144966682) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene.

Molecular Properties

Compound Name[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene
PubChem CID144966682
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C(=O)Oc1ccc(-c2ccc(OC=O)cc2)cc1
InChIInChI=1S/C17H14O4.C4H8/c1-12(2)17(19)21-16-9-5-14(6-10-16)13-3-7-15(8-4-13)20-11-18;1-4(2)3/h3-11H,1H2,2H3;1H2,2-3H3
InChIKeyUYDUYRGGPZLWSY-UHFFFAOYSA-N
XLogP4.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 118907469
2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123993816
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
[4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate
CID 144771997
[4-[3-chloro-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 67472309
[4-[N-(4-formyloxyphenyl)-4-[4-(N-heptan-2-ylanilino)phenyl]anilino]phenyl] 2-methylprop-2-enoate
CID 87074341
[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
[4-[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 123740075
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900

Frequently Asked Questions

What is the IUPAC name of [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene?
The IUPAC name of [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene (CID 144966682) is [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene.
What is the SMILES notation for [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene?
The canonical SMILES for [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene is C=C(C)C.C=C(C)C(=O)Oc1ccc(-c2ccc(OC=O)cc2)cc1.
What is the InChIKey of [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene?
The InChIKey is UYDUYRGGPZLWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4.C4H8/c1-12(2)17(19)21-16-9-5-14(6-10-16)13-3-7-15(8-4-13)20-11-18;1-4(2)3/h3-11H,1H2,2H3;1H2,2-3H3.
What are the key properties of [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene?
[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene has a molecular weight of 338.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene is sourced from PubChem (CID 144966682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).