1,2,3,4,5-pentamethoxy-6-phenoxybenzene

C17H20O6 — CID 91516072

IUPAC1,2,3,4,5-pentamethoxy-6-phenoxybenzene
SMILESCOc1c(OC)c(OC)c(Oc2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H20O6/c1-18-12-13(19-2)15(21-4)17(16(22-5)14(12)20-3)23-11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeyUTEOPMMNQCNHHD-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.52
Rot. Bonds7

About 1,2,3,4,5-pentamethoxy-6-phenoxybenzene

1,2,3,4,5-pentamethoxy-6-phenoxybenzene (PubChem CID 91516072) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethoxy-6-phenoxybenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethoxy-6-phenoxybenzene
PubChem CID91516072
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1,2,3,4,5-pentamethoxy-6-phenoxybenzene
SMILESCOc1c(OC)c(OC)c(Oc2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H20O6/c1-18-12-13(19-2)15(21-4)17(16(22-5)14(12)20-3)23-11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeyUTEOPMMNQCNHHD-UHFFFAOYSA-N
XLogP3.52
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4,5-pentamethoxy-6-phenoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethoxy-2-methyl-4-phenoxybenzene
CID 22071605
(3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate
CID 175181798
phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate
CID 141016293
3,6-difluoro-4-methoxy-5-phenoxybenzene-1,2-dicarbonitrile
CID 139615505
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
1,2,3-trimethoxy-4-phenoxy-5-(3-phenylphenyl)benzene
CID 173325134
ethane;1-methoxy-3-methyl-2-phenoxybenzene
CID 155714526
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
CID 159259752
CID 159259752

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethoxy-6-phenoxybenzene?
The IUPAC name of 1,2,3,4,5-pentamethoxy-6-phenoxybenzene (CID 91516072) is 1,2,3,4,5-pentamethoxy-6-phenoxybenzene.
What is the SMILES notation for 1,2,3,4,5-pentamethoxy-6-phenoxybenzene?
The canonical SMILES for 1,2,3,4,5-pentamethoxy-6-phenoxybenzene is COc1c(OC)c(OC)c(Oc2ccccc2)c(OC)c1OC.
What is the InChIKey of 1,2,3,4,5-pentamethoxy-6-phenoxybenzene?
The InChIKey is UTEOPMMNQCNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c1-18-12-13(19-2)15(21-4)17(16(22-5)14(12)20-3)23-11-9-7-6-8-10-11/h6-10H,1-5H3.
What are the key properties of 1,2,3,4,5-pentamethoxy-6-phenoxybenzene?
1,2,3,4,5-pentamethoxy-6-phenoxybenzene has a molecular weight of 320.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethoxy-6-phenoxybenzene is sourced from PubChem (CID 91516072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).