[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate

C74H86O32 — CID 59476740

IUPAC[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1cc(OCC(O)COC(=O)C=C)cc(C(c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)C(c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)c1
InChIInChI=1S/C74H86O32/c1-9-65(83)99-37-49(75)29-91-57-17-45(18-58(25-57)92-30-50(76)38-100-66(84)10-2)73(46-19-59(93-31-51(77)39-101-67(85)11-3)26-60(20-46)94-32-52(78)40-102-68(86)12-4)74(47-21-61(95-33-53(79)41-103-69(87)13-5)27-62(22-47)96-34-54(80)42-104-70(88)14-6)48-23-63(97-35-55(81)43-105-71(89)15-7)28-64(24-48)98-36-56(82)44-106-72(90)16-8/h9-28,49-56,73-82H,1-8,29-44H2
InChIKeyZBWHZETUKGFYJT-UHFFFAOYSA-N
MW1487.47 g/mol
LogP2.40
Rot. Bonds53

About [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate

[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate (PubChem CID 59476740) has the molecular formula C74H86O32 and a molecular weight of 1487.47 g/mol. Its IUPAC name is [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate
PubChem CID59476740
Molecular FormulaC74H86O32
Molecular Weight1487.47 g/mol
Exact Mass1486.51
IUPAC Name[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1cc(OCC(O)COC(=O)C=C)cc(C(c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)C(c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)c1
InChIInChI=1S/C74H86O32/c1-9-65(83)99-37-49(75)29-91-57-17-45(18-58(25-57)92-30-50(76)38-100-66(84)10-2)73(46-19-59(93-31-51(77)39-101-67(85)11-3)26-60(20-46)94-32-52(78)40-102-68(86)12-4)74(47-21-61(95-33-53(79)41-103-69(87)13-5)27-62(22-47)96-34-54(80)42-104-70(88)14-6)48-23-63(97-35-55(81)43-105-71(89)15-7)28-64(24-48)98-36-56(82)44-106-72(90)16-8/h9-28,49-56,73-82H,1-8,29-44H2
InChIKeyZBWHZETUKGFYJT-UHFFFAOYSA-N
XLogP2.40
TPSA446.08 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds53
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.47
LogP ≤ 52.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
[3-(3,4-dibromophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 101144744
[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate
CID 171607196
[3-(4-butan-2-ylphenoxy)-2-hydroxypropyl] prop-2-enoate
CID 23517808
[3-[4-[2-[4-(3-acetyloxy-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] prop-2-enoate
CID 166781676
[3-[4-[2-[4-(3-buta-1,3-dien-2-yloxy-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] prop-2-enoate
CID 58121998
[2-hydroxy-3-[4-[[4-(2-hydroxy-3-methoxypropoxy)phenyl]methyl]phenoxy]propyl] prop-2-enoate
CID 118443194
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 91047100
[2-[[4-[2-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]-1,2-bis[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]methyl]-4-oxohex-5-enyl] prop-2-enoate
CID 138702512
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
[2-hydroxy-3-(4-nonan-4-ylphenoxy)propyl] prop-2-enoate
CID 89183361

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate?
The IUPAC name of [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate (CID 59476740) is [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate is C=CC(=O)OCC(O)COc1cc(OCC(O)COC(=O)C=C)cc(C(c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)C(c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)c2cc(OCC(O)COC(=O)C=C)cc(OCC(O)COC(=O)C=C)c2)c1.
What is the InChIKey of [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate?
The InChIKey is ZBWHZETUKGFYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H86O32/c1-9-65(83)99-37-49(75)29-91-57-17-45(18-58(25-57)92-30-50(76)38-100-66(84)10-2)73(46-19-59(93-31-51(77)39-101-67(85)11-3)26-60(20-46)94-32-52(78)40-102-68(86)12-4)74(47-21-61(95-33-53(79)41-103-69(87)13-5)27-62(22-47)96-34-54(80)42-104-70(88)14-6)48-23-63(97-35-55(81)43-105-71(89)15-7)28-64(24-48)98-36-56(82)44-106-72(90)16-8/h9-28,49-56,73-82H,1-8,29-44H2.
What are the key properties of [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate?
[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate has a molecular weight of 1487.47 g/mol, XLogP of 2.40, 53 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate is sourced from PubChem (CID 59476740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).