ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide

C38H43I3O8 — CID 158855139

IUPACethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide
SMILESCCOC(C)=O.COc1ccc(O)cc1.COc1ccc(OCc2ccccc2)cc1.I.II.Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H14O2.C13H12O2.C7H8O2.C4H8O2.I2.HI/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-9-7-4-2-6(8)3-5-7;1-3-6-4(2)5;1-2;/h2-10H,11H2,1H3;1-9,14H,10H2;2-5,8H,1H3;3H2,1-2H3;;1H
InChIKeyPXEBLCBDXBTWON-UHFFFAOYSA-N
MW1008.47 g/mol
LogP10.60
Rot. Bonds9

About ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide

ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide (PubChem CID 158855139) has the molecular formula C38H43I3O8 and a molecular weight of 1008.47 g/mol. Its IUPAC name is ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide.

Molecular Properties

Compound Nameethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide
PubChem CID158855139
Molecular FormulaC38H43I3O8
Molecular Weight1008.47 g/mol
Exact Mass1008.01
IUPAC Nameethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide
SMILESCCOC(C)=O.COc1ccc(O)cc1.COc1ccc(OCc2ccccc2)cc1.I.II.Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H14O2.C13H12O2.C7H8O2.C4H8O2.I2.HI/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-9-7-4-2-6(8)3-5-7;1-3-6-4(2)5;1-2;/h2-10H,11H2,1H3;1-9,14H,10H2;2-5,8H,1H3;3H2,1-2H3;;1H
InChIKeyPXEBLCBDXBTWON-UHFFFAOYSA-N
XLogP10.60
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.47
LogP ≤ 510.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide with MolForge

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Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl acetate;4-methoxybenzoic acid
CID 158342660
ethyl acetate;ethyl 4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 90757798
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
ethyl 4-(4-hydroxyphenyl)-1H-pyrrole-2-carboxylate;ethyl 4-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 159312898
diethyl 1-[(4-methoxyphenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 17371390
ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide?
The IUPAC name of ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide (CID 158855139) is ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide.
What is the SMILES notation for ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide?
The canonical SMILES for ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide is CCOC(C)=O.COc1ccc(O)cc1.COc1ccc(OCc2ccccc2)cc1.I.II.Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide?
The InChIKey is PXEBLCBDXBTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C13H12O2.C7H8O2.C4H8O2.I2.HI/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-9-7-4-2-6(8)3-5-7;1-3-6-4(2)5;1-2;/h2-10H,11H2,1H3;1-9,14H,10H2;2-5,8H,1H3;3H2,1-2H3;;1H.
What are the key properties of ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide?
ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide has a molecular weight of 1008.47 g/mol, XLogP of 10.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide is sourced from PubChem (CID 158855139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).