1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene

C59H68O4 — CID 143165098

IUPAC1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene
SMILESC=CCOc1ccc(C(C)(c2ccccc2)c2ccc(OC(CC)(CC)CCCOc3ccc(C(C)(c4ccccc4)c4ccc(OC(CC)(CC)CC=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C59H68O4/c1-9-42-58(11-3,12-4)62-54-38-30-50(31-39-54)57(8,47-24-19-16-20-25-47)49-28-36-53(37-29-49)61-45-21-43-59(13-5,14-6)63-55-40-32-51(33-41-55)56(7,46-22-17-15-18-23-46)48-26-34-52(35-27-48)60-44-10-2/h9-10,15-20,22-41H,1-2,11-14,21,42-45H2,3-8H3
InChIKeySEPXVUGMVOZZBN-UHFFFAOYSA-N
MW841.19 g/mol
LogP15.27
Rot. Bonds24

About 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene

1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene (PubChem CID 143165098) has the molecular formula C59H68O4 and a molecular weight of 841.19 g/mol. Its IUPAC name is 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene.

Molecular Properties

Compound Name1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene
PubChem CID143165098
Molecular FormulaC59H68O4
Molecular Weight841.19 g/mol
Exact Mass840.51
IUPAC Name1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene
SMILESC=CCOc1ccc(C(C)(c2ccccc2)c2ccc(OC(CC)(CC)CCCOc3ccc(C(C)(c4ccccc4)c4ccc(OC(CC)(CC)CC=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C59H68O4/c1-9-42-58(11-3,12-4)62-54-38-30-50(31-39-54)57(8,47-24-19-16-20-25-47)49-28-36-53(37-29-49)61-45-21-43-59(13-5,14-6)63-55-40-32-51(33-41-55)56(7,46-22-17-15-18-23-46)48-26-34-52(35-27-48)60-44-10-2/h9-10,15-20,22-41H,1-2,11-14,21,42-45H2,3-8H3
InChIKeySEPXVUGMVOZZBN-UHFFFAOYSA-N
XLogP15.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.19
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene 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

1-but-3-enoxy-4-[1-[4-[4-[4-[1-(4-but-3-enoxyphenyl)-1-phenylethyl]phenoxy]butoxy]phenyl]-1-phenylethyl]benzene
CID 158223803
3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enylpropan-1-amine
CID 2581421
ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol
CID 161011342
CID 174846151
CID 174846151
2,2-diethyl-5-phenoxypentanenitrile
CID 82138632
1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)
CID 159976279
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
1-but-3-enoxy-4-tert-butylbenzene
CID 42600781
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
[4-(bromomethyl)-4-methylhex-5-enoxy]benzene
CID 102642192

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene?
The IUPAC name of 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene (CID 143165098) is 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene.
What is the SMILES notation for 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene?
The canonical SMILES for 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene is C=CCOc1ccc(C(C)(c2ccccc2)c2ccc(OC(CC)(CC)CCCOc3ccc(C(C)(c4ccccc4)c4ccc(OC(CC)(CC)CC=C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene?
The InChIKey is SEPXVUGMVOZZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H68O4/c1-9-42-58(11-3,12-4)62-54-38-30-50(31-39-54)57(8,47-24-19-16-20-25-47)49-28-36-53(37-29-49)61-45-21-43-59(13-5,14-6)63-55-40-32-51(33-41-55)56(7,46-22-17-15-18-23-46)48-26-34-52(35-27-48)60-44-10-2/h9-10,15-20,22-41H,1-2,11-14,21,42-45H2,3-8H3.
What are the key properties of 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene?
1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene has a molecular weight of 841.19 g/mol, XLogP of 15.27, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylhex-5-en-3-yloxy)-4-[1-[4-[4-ethyl-4-[4-[1-phenyl-1-(4-prop-2-enoxyphenyl)ethyl]phenoxy]hexoxy]phenyl]-1-phenylethyl]benzene is sourced from PubChem (CID 143165098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).