1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene

C21H22O5 — CID 91973771

IUPAC1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene
SMILESCOc1ccc(-c2cccc3c(OC)c(OC)c(OC)c(OC)c23)cc1
InChIInChI=1S/C21H22O5/c1-22-14-11-9-13(10-12-14)15-7-6-8-16-17(15)19(24-3)21(26-5)20(25-4)18(16)23-2/h6-12H,1-5H3
InChIKeyMCINKZBGGYVVBT-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.55
Rot. Bonds6

About 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene

1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene (PubChem CID 91973771) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene.

Molecular Properties

Compound Name1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene
PubChem CID91973771
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene
SMILESCOc1ccc(-c2cccc3c(OC)c(OC)c(OC)c(OC)c23)cc1
InChIInChI=1S/C21H22O5/c1-22-14-11-9-13(10-12-14)15-7-6-8-16-17(15)19(24-3)21(26-5)20(25-4)18(16)23-2/h6-12H,1-5H3
InChIKeyMCINKZBGGYVVBT-UHFFFAOYSA-N
XLogP4.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene?
The IUPAC name of 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene (CID 91973771) is 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene.
What is the SMILES notation for 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene?
The canonical SMILES for 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene is COc1ccc(-c2cccc3c(OC)c(OC)c(OC)c(OC)c23)cc1.
What is the InChIKey of 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene?
The InChIKey is MCINKZBGGYVVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O5/c1-22-14-11-9-13(10-12-14)15-7-6-8-16-17(15)19(24-3)21(26-5)20(25-4)18(16)23-2/h6-12H,1-5H3.
What are the key properties of 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene?
1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene has a molecular weight of 354.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethoxy-5-(4-methoxyphenyl)naphthalene is sourced from PubChem (CID 91973771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).