6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate

C28H38O6 — CID 138636641

IUPAC6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(-c2ccc(OCCOCC(C)C)c(OC)c2)cc1
InChIInChI=1S/C28H38O6/c1-5-28(29)34-17-9-7-6-8-16-32-25-13-10-23(11-14-25)24-12-15-26(27(20-24)30-4)33-19-18-31-21-22(2)3/h5,10-15,20,22H,1,6-9,16-19,21H2,2-4H3
InChIKeyBJNCJVAXRLORIB-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.08
Rot. Bonds17

About 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate

6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate (PubChem CID 138636641) has the molecular formula C28H38O6 and a molecular weight of 470.61 g/mol. Its IUPAC name is 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate
PubChem CID138636641
Molecular FormulaC28H38O6
Molecular Weight470.61 g/mol
Exact Mass470.27
IUPAC Name6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(-c2ccc(OCCOCC(C)C)c(OC)c2)cc1
InChIInChI=1S/C28H38O6/c1-5-28(29)34-17-9-7-6-8-16-32-25-13-10-23(11-14-25)24-12-15-26(27(20-24)30-4)33-19-18-31-21-22(2)3/h5,10-15,20,22H,1,6-9,16-19,21H2,2-4H3
InChIKeyBJNCJVAXRLORIB-UHFFFAOYSA-N
XLogP6.08
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl 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

[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylphenyl]phenyl] 3-methoxy-4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 59090125
[4-[4-[3-[3-methoxy-4-(6-prop-2-enoyloxyhexoxy)phenyl]propoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 118579779
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
6-[4-[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59459924
6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932
[4-[4-[2-(4-methoxyphenoxy)propanoyloxy]phenyl]phenyl] 4-(11-prop-2-enoyloxyundecoxy)benzoate
CID 58152621
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-[3,4-bis(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 59734899
8-[4-(3,5-difluorophenyl)phenoxy]octyl prop-2-enoate
CID 134446776
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
2-[4-[7,9-bis(4-methoxyphenyl)-10-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenanthren-2-yl]phenoxy]ethyl prop-2-enoate
CID 118934477
6-[4-[7-(2-methoxy-4-methylphenoxy)-3,6-dimethylhept-1-en-2-yl]oxyphenoxy]hexyl prop-2-enoate
CID 142301477

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate?
The IUPAC name of 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate (CID 138636641) is 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate.
What is the SMILES notation for 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate?
The canonical SMILES for 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(-c2ccc(OCCOCC(C)C)c(OC)c2)cc1.
What is the InChIKey of 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate?
The InChIKey is BJNCJVAXRLORIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O6/c1-5-28(29)34-17-9-7-6-8-16-32-25-13-10-23(11-14-25)24-12-15-26(27(20-24)30-4)33-19-18-31-21-22(2)3/h5,10-15,20,22H,1,6-9,16-19,21H2,2-4H3.
What are the key properties of 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate?
6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate has a molecular weight of 470.61 g/mol, XLogP of 6.08, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]phenoxy]hexyl prop-2-enoate is sourced from PubChem (CID 138636641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).