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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Related Compounds

CID 44572330
CID 44572330
CID 442694
CID 442694
CID 182140
CID 182140
CID 5388779
CID 5388779
CID 165441
CID 165441
CID 273034
CID 273034
CID 44600287
CID 44600287
CID 181637
CID 181637
CID 5387294
CID 5387294
CID 9982511
CID 9982511
CID 10401022
CID 10401022
CID 11465808
CID 11465808

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).