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

C22H24O3 — CID 44609839

IUPAC2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
SMILESCOc1cc(CCCc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H24O3/c1-23-20-14-17(15-21(24-2)22(20)25-3)8-6-7-16-11-12-18-9-4-5-10-19(18)13-16/h4-5,9-15H,6-8H2,1-3H3
InChIKeyPZCMDLXGFBXUMY-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.04
Rot. Bonds7

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

2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene (PubChem CID 44609839) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene.

Molecular Properties

Compound Name2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
PubChem CID44609839
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
SMILESCOc1cc(CCCc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H24O3/c1-23-20-14-17(15-21(24-2)22(20)25-3)8-6-7-16-11-12-18-9-4-5-10-19(18)13-16/h4-5,9-15H,6-8H2,1-3H3
InChIKeyPZCMDLXGFBXUMY-UHFFFAOYSA-N
XLogP5.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
naphthalen-2-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2677389
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
4-(4,4-dimethyl-5-naphthalen-2-ylpentyl)-2-methoxyphenol
CID 90885816
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570
5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 66726497
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
(3,4,5-trimethoxyphenyl)methyl naphthalene-2-carboxylate
CID 9244590
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26626298
ethane;2-hexylnaphthalene
CID 142191207
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
CID 146002715

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene?
The IUPAC name of 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene (CID 44609839) is 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene.
What is the SMILES notation for 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene?
The canonical SMILES for 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene is COc1cc(CCCc2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene?
The InChIKey is PZCMDLXGFBXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-23-20-14-17(15-21(24-2)22(20)25-3)8-6-7-16-11-12-18-9-4-5-10-19(18)13-16/h4-5,9-15H,6-8H2,1-3H3.
What are the key properties of 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene?
2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene has a molecular weight of 336.43 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene is sourced from PubChem (CID 44609839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).