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

C21H22O3 — CID 11723647

IUPAC2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene
SMILESCOc1cc(CCc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H22O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-7,10-14H,8-9H2,1-3H3
InChIKeyLXLRBXQETIBITH-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.65
Rot. Bonds6

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

2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene (PubChem CID 11723647) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene
PubChem CID11723647
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene
SMILESCOc1cc(CCc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H22O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-7,10-14H,8-9H2,1-3H3
InChIKeyLXLRBXQETIBITH-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene?
The IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene (CID 11723647) is 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene.
What is the SMILES notation for 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene?
The canonical SMILES for 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene is COc1cc(CCc2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene?
The InChIKey is LXLRBXQETIBITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-7,10-14H,8-9H2,1-3H3.
What are the key properties of 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene?
2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene has a molecular weight of 322.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,5-trimethoxyphenyl)ethyl]naphthalene is sourced from PubChem (CID 11723647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).