dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

C64H68O16P2 — CID 91462583

IUPACdibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1.OP(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H33O8P.C18H20O5.C14H15O3P/c1-34-28-18-17-24(15-16-27-20-30(35-2)32(37-4)31(21-27)36-3)19-29(28)40-41(33,38-22-25-11-7-5-8-12-25)39-23-26-13-9-6-10-14-26;1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3;15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h5-21H,22-23H2,1-4H3;5-11,19H,1-4H3;1-10,15H,11-12H2/b16-15-;6-5-;
InChIKeyCBHSRXOUZCLGET-HFIYYWPCSA-N
MW1155.18 g/mol
LogP15.05
Rot. Bonds26

About dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (PubChem CID 91462583) has the molecular formula C64H68O16P2 and a molecular weight of 1155.18 g/mol. Its IUPAC name is dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Namedibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
PubChem CID91462583
Molecular FormulaC64H68O16P2
Molecular Weight1155.18 g/mol
Exact Mass1154.40
IUPAC Namedibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1.OP(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H33O8P.C18H20O5.C14H15O3P/c1-34-28-18-17-24(15-16-27-20-30(35-2)32(37-4)31(21-27)36-3)19-29(28)40-41(33,38-22-25-11-7-5-8-12-25)39-23-26-13-9-6-10-14-26;1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3;15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h5-21H,22-23H2,1-4H3;5-11,19H,1-4H3;1-10,15H,11-12H2/b16-15-;6-5-;
InChIKeyCBHSRXOUZCLGET-HFIYYWPCSA-N
XLogP15.05
TPSA177.52 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.18
LogP ≤ 515.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol with MolForge

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Related Compounds

dibenzyl [5-[(Z)-2-(3-iodo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] phosphate
CID 57381722
dibenzyl [5-[(Z)-2-(3-fluoro-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] phosphate
CID 11577721
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
5-[(Z)-2-(3-fluorosulfonyloxy-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 163428609
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 67409278
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
CID 175347350
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485

Frequently Asked Questions

What is the IUPAC name of dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The IUPAC name of dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (CID 91462583) is dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1.OP(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The InChIKey is CBHSRXOUZCLGET-HFIYYWPCSA-N. The full InChI is InChI=1S/C32H33O8P.C18H20O5.C14H15O3P/c1-34-28-18-17-24(15-16-27-20-30(35-2)32(37-4)31(21-27)36-3)19-29(28)40-41(33,38-22-25-11-7-5-8-12-25)39-23-26-13-9-6-10-14-26;1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3;15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h5-21H,22-23H2,1-4H3;5-11,19H,1-4H3;1-10,15H,11-12H2/b16-15-;6-5-;.
What are the key properties of dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol has a molecular weight of 1155.18 g/mol, XLogP of 15.05, 26 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 91462583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).