1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium

C61H72O3V — CID 157087865

IUPAC1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium
SMILESC=COCOc1ccc(CCc2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)cc1.CCCC1CCC(c2ccc(-c3ccc(CCc4ccc(O)cc4)cc3)cc2)CC1.[V]
InChIInChI=1S/C32H38O2.C29H34O.V/c1-3-5-25-8-14-28(15-9-25)30-18-20-31(21-19-30)29-16-10-26(11-17-29)6-7-27-12-22-32(23-13-27)34-24-33-4-2;1-2-3-22-6-12-25(13-7-22)27-16-18-28(19-17-27)26-14-8-23(9-15-26)4-5-24-10-20-29(30)21-11-24;/h4,10-13,16-23,25,28H,2-3,5-9,14-15,24H2,1H3;8-11,14-22,25,30H,2-7,12-13H2,1H3;
InChIKeyWJGMCQXZZKHWEE-UHFFFAOYSA-N
MW904.19 g/mol
LogP16.62
Rot. Bonds18

About 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium

1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium (PubChem CID 157087865) has the molecular formula C61H72O3V and a molecular weight of 904.19 g/mol. Its IUPAC name is 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium.

Molecular Properties

Compound Name1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium
PubChem CID157087865
Molecular FormulaC61H72O3V
Molecular Weight904.19 g/mol
Exact Mass903.49
IUPAC Name1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium
SMILESC=COCOc1ccc(CCc2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)cc1.CCCC1CCC(c2ccc(-c3ccc(CCc4ccc(O)cc4)cc3)cc2)CC1.[V]
InChIInChI=1S/C32H38O2.C29H34O.V/c1-3-5-25-8-14-28(15-9-25)30-18-20-31(21-19-30)29-16-10-26(11-17-29)6-7-27-12-22-32(23-13-27)34-24-33-4-2;1-2-3-22-6-12-25(13-7-22)27-16-18-28(19-17-27)26-14-8-23(9-15-26)4-5-24-10-20-29(30)21-11-24;/h4,10-13,16-23,25,28H,2-3,5-9,14-15,24H2,1H3;8-11,14-22,25,30H,2-7,12-13H2,1H3;
InChIKeyWJGMCQXZZKHWEE-UHFFFAOYSA-N
XLogP16.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.19
LogP ≤ 516.62
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol
CID 160756551
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene
CID 154607212
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
2-(4-prop-2-enoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837373
1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 159548432
1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 20677014
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
CID 22080361
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium?
The IUPAC name of 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) is 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium.
What is the SMILES notation for 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium?
The canonical SMILES for 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium is C=COCOc1ccc(CCc2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)cc1.CCCC1CCC(c2ccc(-c3ccc(CCc4ccc(O)cc4)cc3)cc2)CC1.[V].
What is the InChIKey of 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium?
The InChIKey is WJGMCQXZZKHWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O2.C29H34O.V/c1-3-5-25-8-14-28(15-9-25)30-18-20-31(21-19-30)29-16-10-26(11-17-29)6-7-27-12-22-32(23-13-27)34-24-33-4-2;1-2-3-22-6-12-25(13-7-22)27-16-18-28(19-17-27)26-14-8-23(9-15-26)4-5-24-10-20-29(30)21-11-24;/h4,10-13,16-23,25,28H,2-3,5-9,14-15,24H2,1H3;8-11,14-22,25,30H,2-7,12-13H2,1H3;.
What are the key properties of 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium?
1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium has a molecular weight of 904.19 g/mol, XLogP of 16.62, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium is sourced from PubChem (CID 157087865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).