[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone

C20H17NO7 — CID 25064957

IUPAC[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccco3)ccc2[N+](=O)[O-])cc(OC)c1OC
InChIInChI=1S/C20H17NO7/c1-25-17-10-13(11-18(26-2)20(17)27-3)19(22)14-9-12(16-5-4-8-28-16)6-7-15(14)21(23)24/h4-11H,1-3H3
InChIKeyHAWHBLKRQRFZGD-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.11
Rot. Bonds7

About [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone

[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25064957) has the molecular formula C20H17NO7 and a molecular weight of 383.36 g/mol. Its IUPAC name is [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25064957
Molecular FormulaC20H17NO7
Molecular Weight383.36 g/mol
Exact Mass383.10
IUPAC Name[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccco3)ccc2[N+](=O)[O-])cc(OC)c1OC
InChIInChI=1S/C20H17NO7/c1-25-17-10-13(11-18(26-2)20(17)27-3)19(22)14-9-12(16-5-4-8-28-16)6-7-15(14)21(23)24/h4-11H,1-3H3
InChIKeyHAWHBLKRQRFZGD-UHFFFAOYSA-N
XLogP4.11
TPSA101.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(furan-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl] trifluoromethanesulfonate
CID 87225986
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
[5-(furan-2-yl)-2-morpholin-4-ylphenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 66987585
[2-(3-aminopyrrolidin-1-yl)-5-(furan-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 66987812
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
[2-[3-(dimethylamino)pyrrolidin-1-yl]-5-(furan-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 66987409
4-(furan-2-yl)-2-methoxybenzoic acid
CID 53224787
4-(furan-2-yl)-2-nitrophenol
CID 53221595
[4-(furan-2-yl)-1-pyrimidin-5-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171343056
3,4,5-trimethoxy-N-[2-nitro-4-(3,4,5-trimethoxyphenyl)phenyl]benzamide
CID 56945197
(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone;(2-fluorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone
CID 158356325
(2-nitrophenyl) 3,4,5-trimethoxybenzoate
CID 905326

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 25064957) is [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3ccco3)ccc2[N+](=O)[O-])cc(OC)c1OC.
What is the InChIKey of [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HAWHBLKRQRFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO7/c1-25-17-10-13(11-18(26-2)20(17)27-3)19(22)14-9-12(16-5-4-8-28-16)6-7-15(14)21(23)24/h4-11H,1-3H3.
What are the key properties of [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone?
[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 383.36 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25064957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).