[7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate

C22H20O4 — CID 138745445

IUPAC[7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c3c2CCC3)cc1
InChIInChI=1S/C22H20O4/c1-4-21(23)25-16-10-8-15(9-11-16)17-12-13-20(26-22(24)14(2)3)19-7-5-6-18(17)19/h4,8-13H,1-2,5-7H2,3H3
InChIKeyQURSBCWBXOINCX-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.42
Rot. Bonds5

About [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate

[7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate (PubChem CID 138745445) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
PubChem CID138745445
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name[7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c3c2CCC3)cc1
InChIInChI=1S/C22H20O4/c1-4-21(23)25-16-10-8-15(9-11-16)17-12-13-20(26-22(24)14(2)3)19-7-5-6-18(17)19/h4,8-13H,1-2,5-7H2,3H3
InChIKeyQURSBCWBXOINCX-UHFFFAOYSA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate
CID 146188899
[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-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660267
[5-[2-(4-prop-2-enoyloxyphenyl)ethynyl]-2-[4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118605589
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141316940
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296
[4-[2-[4-[2-(2-methylprop-2-enoyloxy)-4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]phenyl]phenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118605588
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethynyl]-2-prop-2-enoyloxyphenyl]phenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118605590
[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
CID 159111833

Frequently Asked Questions

What is the IUPAC name of [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate?
The IUPAC name of [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate (CID 138745445) is [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate?
The canonical SMILES for [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c3c2CCC3)cc1.
What is the InChIKey of [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate?
The InChIKey is QURSBCWBXOINCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-4-21(23)25-16-10-8-15(9-11-16)17-12-13-20(26-22(24)14(2)3)19-7-5-6-18(17)19/h4,8-13H,1-2,5-7H2,3H3.
What are the key properties of [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate?
[7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate has a molecular weight of 348.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 138745445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).