[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate

C201H192O49 — CID 158853417

IUPAC[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
SMILESC=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1
InChIInChI=1S/C32H34O7.C29H28O7.5C28H26O7/c1-3-5-6-9-24-10-16-28(17-11-24)38-32(35)26-14-20-29(21-15-26)39-31(34)25-12-18-27(19-13-25)36-22-7-8-23-37-30(33)4-2;1-3-21-7-13-25(14-8-21)35-29(32)23-11-17-26(18-12-23)36-28(31)22-9-15-24(16-10-22)33-19-5-6-20-34-27(30)4-2;5*1-3-26(29)33-19-5-4-18-32-23-14-8-21(9-15-23)27(30)35-25-16-10-22(11-17-25)28(31)34-24-12-6-20(2)7-13-24/h4,10-21H,2-3,5-9,22-23H2,1H3;4,7-18H,2-3,5-6,19-20H2,1H3;5*3,6-17H,1,4-5,18-19H2,2H3
InChIKeyIZTACLVAZAYMGH-UHFFFAOYSA-N
MW3391.70 g/mol
LogP38.93
Rot. Bonds82

About [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate

[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate (PubChem CID 158853417) has the molecular formula C201H192O49 and a molecular weight of 3391.70 g/mol. Its IUPAC name is [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate.

Molecular Properties

Compound Name[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
PubChem CID158853417
Molecular FormulaC201H192O49
Molecular Weight3391.70 g/mol
Exact Mass3389.25
IUPAC Name[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
SMILESC=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1
InChIInChI=1S/C32H34O7.C29H28O7.5C28H26O7/c1-3-5-6-9-24-10-16-28(17-11-24)38-32(35)26-14-20-29(21-15-26)39-31(34)25-12-18-27(19-13-25)36-22-7-8-23-37-30(33)4-2;1-3-21-7-13-25(14-8-21)35-29(32)23-11-17-26(18-12-23)36-28(31)22-9-15-24(16-10-22)33-19-5-6-20-34-27(30)4-2;5*1-3-26(29)33-19-5-4-18-32-23-14-8-21(9-15-23)27(30)35-25-16-10-22(11-17-25)28(31)34-24-12-6-20(2)7-13-24/h4,10-21H,2-3,5-9,22-23H2,1H3;4,7-18H,2-3,5-6,19-20H2,1H3;5*3,6-17H,1,4-5,18-19H2,2H3
InChIKeyIZTACLVAZAYMGH-UHFFFAOYSA-N
XLogP38.93
TPSA616.91 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds82
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003391.70
LogP ≤ 538.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate 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

[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-octylbenzoate
CID 118216311
methoxymethane;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 157170945
ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 162074025
(4-pentoxyphenyl) 4-hexylbenzoate;(4-pentylphenyl) 4-methylbenzoate;(4-pentylphenyl) 4-pentylbenzoate
CID 162088804
(4-octylphenyl) 3-methoxy-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoate
CID 90266004
(4-nonylphenyl) 3-methoxy-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoate
CID 90265971
[4-[[4-(6-prop-2-enoyloxyhexoxy)phenoxy]methyl]phenyl] 4-hexoxybenzoate
CID 59386494
[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methoxy]phenyl] 4-hexoxybenzoate
CID 59386488
[4-[(4-hexoxyphenoxy)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 59386505
[4-(4-hexylphenoxy)carbonylphenyl] 3-methyl-4-(4-prop-2-enoyloxybutoxy)benzoate
CID 90265962
(4-methylphenyl) 4-(4-prop-2-enoyloxybutoxy)benzoate;methyl 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158691914
[4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate
CID 123818510

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate?
The IUPAC name of [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate (CID 158853417) is [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate.
What is the SMILES notation for [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate?
The canonical SMILES for [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate is C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1.
What is the InChIKey of [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate?
The InChIKey is IZTACLVAZAYMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O7.C29H28O7.5C28H26O7/c1-3-5-6-9-24-10-16-28(17-11-24)38-32(35)26-14-20-29(21-15-26)39-31(34)25-12-18-27(19-13-25)36-22-7-8-23-37-30(33)4-2;1-3-21-7-13-25(14-8-21)35-29(32)23-11-17-26(18-12-23)36-28(31)22-9-15-24(16-10-22)33-19-5-6-20-34-27(30)4-2;5*1-3-26(29)33-19-5-4-18-32-23-14-8-21(9-15-23)27(30)35-25-16-10-22(11-17-25)28(31)34-24-12-6-20(2)7-13-24/h4,10-21H,2-3,5-9,22-23H2,1H3;4,7-18H,2-3,5-6,19-20H2,1H3;5*3,6-17H,1,4-5,18-19H2,2H3.
What are the key properties of [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate?
[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate has a molecular weight of 3391.70 g/mol, XLogP of 38.93, 82 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate is sourced from PubChem (CID 158853417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).