[5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate

C26H24O7 — CID 146188895

IUPAC[5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(-c2ccc3c(c2)CCC3OC(=O)C(=C)C)ccc1OC(=O)C(C)=O
InChIInChI=1S/C26H24O7/c1-14(2)24(28)31-21-10-8-19-12-17(6-9-20(19)21)18-7-11-22(32-26(30)16(5)27)23(13-18)33-25(29)15(3)4/h6-7,9,11-13,21H,1,3,8,10H2,2,4-5H3
InChIKeyFREHFBDOLSNICM-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.44
Rot. Bonds7

About [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate

[5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate (PubChem CID 146188895) has the molecular formula C26H24O7 and a molecular weight of 448.47 g/mol. Its IUPAC name is [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
PubChem CID146188895
Molecular FormulaC26H24O7
Molecular Weight448.47 g/mol
Exact Mass448.15
IUPAC Name[5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(-c2ccc3c(c2)CCC3OC(=O)C(=C)C)ccc1OC(=O)C(C)=O
InChIInChI=1S/C26H24O7/c1-14(2)24(28)31-21-10-8-19-12-17(6-9-20(19)21)18-7-11-22(32-26(30)16(5)27)23(13-18)33-25(29)15(3)4/h6-7,9,11-13,21H,1,3,8,10H2,2,4-5H3
InChIKeyFREHFBDOLSNICM-UHFFFAOYSA-N
XLogP4.44
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
CID 138745030
[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
CID 138744904
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
bis([5-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate);[5-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methylphenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-methylphenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate
CID 158815554
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
CID 138744910
[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
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-prop-1-en-2-ylphenyl] 2-methylprop-2-enoate
CID 148983467
[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
[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate
CID 138462496
[2-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-5-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-[(E)-2-methylbut-2-enoyl]oxyphenyl]phenyl] (E)-2-methylbut-2-enoate
CID 118907394
[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-methylphenyl] 2-methylprop-2-enoate;[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-(2-methylprop-2-enoyloxy)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
CID 160627715
5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate
CID 90261973

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate (CID 146188895) is [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(-c2ccc3c(c2)CCC3OC(=O)C(=C)C)ccc1OC(=O)C(C)=O.
What is the InChIKey of [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate?
The InChIKey is FREHFBDOLSNICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O7/c1-14(2)24(28)31-21-10-8-19-12-17(6-9-20(19)21)18-7-11-22(32-26(30)16(5)27)23(13-18)33-25(29)15(3)4/h6-7,9,11-13,21H,1,3,8,10H2,2,4-5H3.
What are the key properties of [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate?
[5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate has a molecular weight of 448.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 146188895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).