(2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid

C43H37NO7 — CID 153349477

IUPAC(2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid
SMILESCOc1ccc(COc2ccc(/C(=N/OC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)O)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C43H37NO7/c1-47-37-23-18-31(19-24-37)29-49-39-27-22-33(28-40(39)50-30-32-20-25-38(48-2)26-21-32)41(42(45)46)44-51-43(34-12-6-3-7-13-34,35-14-8-4-9-15-35)36-16-10-5-11-17-36/h3-28H,29-30H2,1-2H3,(H,45,46)/b44-41-
InChIKeyIYAQFDFSCUFSRZ-OYDBNLDZSA-N
MW679.77 g/mol
LogP8.66
Rot. Bonds15

About (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid

(2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid (PubChem CID 153349477) has the molecular formula C43H37NO7 and a molecular weight of 679.77 g/mol. Its IUPAC name is (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid
PubChem CID153349477
Molecular FormulaC43H37NO7
Molecular Weight679.77 g/mol
Exact Mass679.26
IUPAC Name(2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid
SMILESCOc1ccc(COc2ccc(/C(=N/OC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)O)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C43H37NO7/c1-47-37-23-18-31(19-24-37)29-49-39-27-22-33(28-40(39)50-30-32-20-25-38(48-2)26-21-32)41(42(45)46)44-51-43(34-12-6-3-7-13-34,35-14-8-4-9-15-35)36-16-10-5-11-17-36/h3-28H,29-30H2,1-2H3,(H,45,46)/b44-41-
InChIKeyIYAQFDFSCUFSRZ-OYDBNLDZSA-N
XLogP8.66
TPSA95.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.77
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol
CID 67742855
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
tert-butyl N-[(2Z)-2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetyl]-N-[2-(4-methylphenyl)sulfonylsulfanylethyl]carbamate
CID 142554328
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid?
The IUPAC name of (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid (CID 153349477) is (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid?
The canonical SMILES for (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid is COc1ccc(COc2ccc(/C(=N/OC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)O)cc2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid?
The InChIKey is IYAQFDFSCUFSRZ-OYDBNLDZSA-N. The full InChI is InChI=1S/C43H37NO7/c1-47-37-23-18-31(19-24-37)29-49-39-27-22-33(28-40(39)50-30-32-20-25-38(48-2)26-21-32)41(42(45)46)44-51-43(34-12-6-3-7-13-34,35-14-8-4-9-15-35)36-16-10-5-11-17-36/h3-28H,29-30H2,1-2H3,(H,45,46)/b44-41-.
What are the key properties of (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid?
(2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid has a molecular weight of 679.77 g/mol, XLogP of 8.66, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-trityloxyiminoacetic acid is sourced from PubChem (CID 153349477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).