2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol

C20H23NO8 — CID 23056679

IUPAC2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
SMILESCOc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C20H23NO8/c1-25-16-8-11(7-13(19(16)22)21(23)24)14-5-6-15(29-14)12-9-17(26-2)20(28-4)18(10-12)27-3/h7-10,14-15,22H,5-6H2,1-4H3
InChIKeyLBGDAAPKWWNHSE-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.93
Rot. Bonds7

About 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol

2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol (PubChem CID 23056679) has the molecular formula C20H23NO8 and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
PubChem CID23056679
Molecular FormulaC20H23NO8
Molecular Weight405.40 g/mol
Exact Mass405.14
IUPAC Name2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
SMILESCOc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C20H23NO8/c1-25-16-8-11(7-13(19(16)22)21(23)24)14-5-6-15(29-14)12-9-17(26-2)20(28-4)18(10-12)27-3/h7-10,14-15,22H,5-6H2,1-4H3
InChIKeyLBGDAAPKWWNHSE-UHFFFAOYSA-N
XLogP3.93
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

(2S,5S)-2-(3-methoxy-5-nitro-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 15390178
2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 11794734
(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
CID 171252740
(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 142954682
2-methoxy-4-morpholin-3-yl-6-nitrophenol
CID 116987656
5-acetyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylidene-1,3-diazinan-2-one
CID 4747333
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2917100
methyl (6S)-6-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1310374
2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 5066152
4-[(R)-amino(oxan-4-yl)methyl]-2-methoxy-6-nitrophenol
CID 171249099
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 3430178

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol?
The IUPAC name of 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol (CID 23056679) is 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol.
What is the SMILES notation for 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol?
The canonical SMILES for 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol is COc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol?
The InChIKey is LBGDAAPKWWNHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO8/c1-25-16-8-11(7-13(19(16)22)21(23)24)14-5-6-15(29-14)12-9-17(26-2)20(28-4)18(10-12)27-3/h7-10,14-15,22H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol?
2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol has a molecular weight of 405.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol is sourced from PubChem (CID 23056679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).