2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene

C20H20O3 — CID 46226530

IUPAC2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene
SMILESCOc1cc(Cc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H20O3/c1-21-18-12-15(13-19(22-2)20(18)23-3)10-14-8-9-16-6-4-5-7-17(16)11-14/h4-9,11-13H,10H2,1-3H3
InChIKeyKIEPRIRLNYYPRN-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.46
Rot. Bonds5

About 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene

2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene (PubChem CID 46226530) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene.

Molecular Properties

Compound Name2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene
PubChem CID46226530
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene
SMILESCOc1cc(Cc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H20O3/c1-21-18-12-15(13-19(22-2)20(18)23-3)10-14-8-9-16-6-4-5-7-17(16)11-14/h4-9,11-13H,10H2,1-3H3
InChIKeyKIEPRIRLNYYPRN-UHFFFAOYSA-N
XLogP4.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene?
The IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene (CID 46226530) is 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene.
What is the SMILES notation for 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene?
The canonical SMILES for 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene is COc1cc(Cc2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene?
The InChIKey is KIEPRIRLNYYPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-21-18-12-15(13-19(22-2)20(18)23-3)10-14-8-9-16-6-4-5-7-17(16)11-14/h4-9,11-13H,10H2,1-3H3.
What are the key properties of 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene?
2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene has a molecular weight of 308.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethoxyphenyl)methyl]naphthalene is sourced from PubChem (CID 46226530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).