1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate

C23H22O7 — CID 139655481

IUPAC1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1ccc(OC(=O)Oc2ccc(C(C)OC(=O)C=C)cc2)cc1
InChIInChI=1S/C23H22O7/c1-5-21(24)27-15(3)17-7-11-19(12-8-17)29-23(26)30-20-13-9-18(10-14-20)16(4)28-22(25)6-2/h5-16H,1-2H2,3-4H3
InChIKeyVXASZWDBCOSJNU-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.84
Rot. Bonds8

About 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate

1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate (PubChem CID 139655481) has the molecular formula C23H22O7 and a molecular weight of 410.42 g/mol. Its IUPAC name is 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate
PubChem CID139655481
Molecular FormulaC23H22O7
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1ccc(OC(=O)Oc2ccc(C(C)OC(=O)C=C)cc2)cc1
InChIInChI=1S/C23H22O7/c1-5-21(24)27-15(3)17-7-11-19(12-8-17)29-23(26)30-20-13-9-18(10-14-20)16(4)28-22(25)6-2/h5-16H,1-2H2,3-4H3
InChIKeyVXASZWDBCOSJNU-UHFFFAOYSA-N
XLogP4.84
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethyl prop-2-enoate
CID 175321764
1-(4-methylsulfanylphenyl)ethyl prop-2-enoate
CID 156761876
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
1-(3,4-dinitrophenyl)ethyl prop-2-enoate
CID 88709141
(4-methylsulfonylphenyl) prop-2-enoate
CID 89374754
1-(2-acetyloxyphenyl)ethyl prop-2-enoate
CID 175062364
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
[3-methyl-4-[4-(1-prop-2-enoyloxyethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(1-prop-2-enoyloxyethoxycarbonyloxy)benzoate
CID 67738289
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
CID 58280736
4-O-(4-formylphenyl) 1-O-(2-prop-2-enoyloxypropyl) butanedioate
CID 134236400
4-[4-(3-carboxy-3-prop-2-enoyloxypropanoyl)oxyphenoxy]-4-oxo-2-prop-2-enoyloxybutanoic acid
CID 57022953

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate?
The IUPAC name of 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate (CID 139655481) is 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate.
What is the SMILES notation for 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate?
The canonical SMILES for 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate is C=CC(=O)OC(C)c1ccc(OC(=O)Oc2ccc(C(C)OC(=O)C=C)cc2)cc1.
What is the InChIKey of 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate?
The InChIKey is VXASZWDBCOSJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O7/c1-5-21(24)27-15(3)17-7-11-19(12-8-17)29-23(26)30-20-13-9-18(10-14-20)16(4)28-22(25)6-2/h5-16H,1-2H2,3-4H3.
What are the key properties of 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate?
1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate has a molecular weight of 410.42 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate is sourced from PubChem (CID 139655481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).