1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene

C18H19NO5 — CID 88896043

IUPAC1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N=O
InChIInChI=1S/C18H19NO5/c1-21-15-8-7-12(9-14(15)19-20)5-6-13-10-16(22-2)18(24-4)17(11-13)23-3/h5-11H,1-4H3/b6-5-
InChIKeyWSWOTPALVQTLHT-WAYWQWQTSA-N
MW329.35 g/mol
LogP4.29
Rot. Bonds7

About 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene

1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene (PubChem CID 88896043) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene
PubChem CID88896043
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N=O
InChIInChI=1S/C18H19NO5/c1-21-15-8-7-12(9-14(15)19-20)5-6-13-10-16(22-2)18(24-4)17(11-13)23-3/h5-11H,1-4H3/b6-5-
InChIKeyWSWOTPALVQTLHT-WAYWQWQTSA-N
XLogP4.29
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
(1E,4E)-1,5-bis(3,4-dimethoxy-5-nitrosophenyl)penta-1,4-dien-3-one
CID 88867522
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 54425378
1-(4-aminophenyl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminopropan-1-one
CID 123766955
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 56935715

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene (CID 88896043) is 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N=O.
What is the InChIKey of 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene?
The InChIKey is WSWOTPALVQTLHT-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H19NO5/c1-21-15-8-7-12(9-14(15)19-20)5-6-13-10-16(22-2)18(24-4)17(11-13)23-3/h5-11H,1-4H3/b6-5-.
What are the key properties of 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene?
1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene has a molecular weight of 329.35 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene is sourced from PubChem (CID 88896043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).