1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene

C26H28O3 — CID 58471701

IUPAC1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene
SMILESC=CCOC1CCC(c2ccc(C#Cc3ccc(OCOC=C)cc3)cc2)CC1
InChIInChI=1S/C26H28O3/c1-3-19-28-25-17-13-24(14-18-25)23-11-7-21(8-12-23)5-6-22-9-15-26(16-10-22)29-20-27-4-2/h3-4,7-12,15-16,24-25H,1-2,13-14,17-20H2
InChIKeyPBLMMDDDFYGTQT-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.81
Rot. Bonds8

About 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene

1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene (PubChem CID 58471701) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene
PubChem CID58471701
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene
SMILESC=CCOC1CCC(c2ccc(C#Cc3ccc(OCOC=C)cc3)cc2)CC1
InChIInChI=1S/C26H28O3/c1-3-19-28-25-17-13-24(14-18-25)23-11-7-21(8-12-23)5-6-22-9-15-26(16-10-22)29-20-27-4-2/h3-4,7-12,15-16,24-25H,1-2,13-14,17-20H2
InChIKeyPBLMMDDDFYGTQT-UHFFFAOYSA-N
XLogP5.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]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

4-(4-prop-2-enoxycyclohexyl)benzonitrile
CID 15051352
1-(3-methylhex-5-en-1-ynyl)-4-(4-propoxycyclohexyl)benzene
CID 174370764
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium
CID 157087865
4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile
CID 18651101
ethyl-[4-(4-prop-2-enoxycyclohexyl)phenyl]-silylsilane
CID 123626456
1-(4-butylcyclohexyl)-4-[2-(4-ethoxyphenyl)ethynyl]benzene
CID 23391128
1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
CID 138459505
1-(4-methylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 58933295
2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139864740
2-fluoro-1-[2-[4-(6-methoxyhexoxy)phenyl]ethynyl]-4-(4-prop-2-enylcyclohexyl)benzene
CID 90049395
4-chloro-2-fluoro-1-[2-[4-(4-hex-2-enoxycyclohexyl)phenyl]ethynyl]benzene
CID 139730148

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene?
The IUPAC name of 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene (CID 58471701) is 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene.
What is the SMILES notation for 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene?
The canonical SMILES for 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene is C=CCOC1CCC(c2ccc(C#Cc3ccc(OCOC=C)cc3)cc2)CC1.
What is the InChIKey of 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene?
The InChIKey is PBLMMDDDFYGTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-3-19-28-25-17-13-24(14-18-25)23-11-7-21(8-12-23)5-6-22-9-15-26(16-10-22)29-20-27-4-2/h3-4,7-12,15-16,24-25H,1-2,13-14,17-20H2.
What are the key properties of 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene?
1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene has a molecular weight of 388.51 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene is sourced from PubChem (CID 58471701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).