6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol

C26H36O5 — CID 57095837

IUPAC6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol
SMILESCCOCOc1cc(C=Cc2cccc(CCCCCCO)c2)cc(OCOCC)c1
InChIInChI=1S/C26H36O5/c1-3-28-20-30-25-17-24(18-26(19-25)31-21-29-4-2)14-13-23-12-9-11-22(16-23)10-7-5-6-8-15-27/h9,11-14,16-19,27H,3-8,10,15,20-21H2,1-2H3
InChIKeyBWGGUQGWFMXTTD-UHFFFAOYSA-N
MW428.57 g/mol
LogP5.70
Rot. Bonds16

About 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol

6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol (PubChem CID 57095837) has the molecular formula C26H36O5 and a molecular weight of 428.57 g/mol. Its IUPAC name is 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol.

Molecular Properties

Compound Name6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol
PubChem CID57095837
Molecular FormulaC26H36O5
Molecular Weight428.57 g/mol
Exact Mass428.26
IUPAC Name6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol
SMILESCCOCOc1cc(C=Cc2cccc(CCCCCCO)c2)cc(OCOCC)c1
InChIInChI=1S/C26H36O5/c1-3-28-20-30-25-17-24(18-26(19-25)31-21-29-4-2)14-13-23-12-9-11-22(16-23)10-7-5-6-8-15-27/h9,11-14,16-19,27H,3-8,10,15,20-21H2,1-2H3
InChIKeyBWGGUQGWFMXTTD-UHFFFAOYSA-N
XLogP5.70
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol 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

7-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]-2-methylhept-6-en-3-ol
CID 57101221
5-[2-[3-(6-hydroxy-7-methyloctyl)phenyl]ethenyl]benzene-1,3-diol
CID 57272502
3-(3-tridecylphenyl)prop-2-enoic acid
CID 139730264
3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol
CID 23439737
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 23439974
ethyl 4-[3-[2-(2,6-dimethylphenyl)ethenyl]phenyl]butanoate
CID 91383142
ethyl 6-(3-methanethioylphenyl)hexanoate
CID 143474698
7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 57167140
5-[4-(3-ethylphenoxy)phenyl]pentan-1-ol
CID 139655848

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol?
The IUPAC name of 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol (CID 57095837) is 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol.
What is the SMILES notation for 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol?
The canonical SMILES for 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol is CCOCOc1cc(C=Cc2cccc(CCCCCCO)c2)cc(OCOCC)c1.
What is the InChIKey of 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol?
The InChIKey is BWGGUQGWFMXTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O5/c1-3-28-20-30-25-17-24(18-26(19-25)31-21-29-4-2)14-13-23-12-9-11-22(16-23)10-7-5-6-8-15-27/h9,11-14,16-19,27H,3-8,10,15,20-21H2,1-2H3.
What are the key properties of 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol?
6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol has a molecular weight of 428.57 g/mol, XLogP of 5.70, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-[3,5-bis(ethoxymethoxy)phenyl]ethenyl]phenyl]hexan-1-ol is sourced from PubChem (CID 57095837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).