1,2,3-trimethoxy-7-propylnaphthalene

C16H20O3 — CID 150838328

IUPAC1,2,3-trimethoxy-7-propylnaphthalene
SMILESCCCc1ccc2cc(OC)c(OC)c(OC)c2c1
InChIInChI=1S/C16H20O3/c1-5-6-11-7-8-12-10-14(17-2)16(19-4)15(18-3)13(12)9-11/h7-10H,5-6H2,1-4H3
InChIKeyKNLMXTDNJUBHJN-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.82
Rot. Bonds5

About 1,2,3-trimethoxy-7-propylnaphthalene

1,2,3-trimethoxy-7-propylnaphthalene (PubChem CID 150838328) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1,2,3-trimethoxy-7-propylnaphthalene.

Molecular Properties

Compound Name1,2,3-trimethoxy-7-propylnaphthalene
PubChem CID150838328
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1,2,3-trimethoxy-7-propylnaphthalene
SMILESCCCc1ccc2cc(OC)c(OC)c(OC)c2c1
InChIInChI=1S/C16H20O3/c1-5-6-11-7-8-12-10-14(17-2)16(19-4)15(18-3)13(12)9-11/h7-10H,5-6H2,1-4H3
InChIKeyKNLMXTDNJUBHJN-UHFFFAOYSA-N
XLogP3.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethoxy-8-methylnaphthalen-2-yl)ethanamine
CID 12849306
2-methoxy-6-propylnaphthalene-1,4-diol
CID 152759210
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1-iodo-2-methoxy-4-propylbenzene
CID 118402577
ethane;2-methoxy-4-propylphenol
CID 144852330
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
N-[2-(7,8-dimethoxy-6-methylnaphthalen-2-yl)ethyl]-N-ethylbutan-1-amine
CID 142201229
2-methoxy-1-methylsulfanyl-4-propylbenzene
CID 91881478
(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone
CID 166522819
2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene
CID 155512745
methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
CID 170047349
9-(4-methoxyphenyl)-3,6-dipropylcarbazole
CID 154963806

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-7-propylnaphthalene?
The IUPAC name of 1,2,3-trimethoxy-7-propylnaphthalene (CID 150838328) is 1,2,3-trimethoxy-7-propylnaphthalene.
What is the SMILES notation for 1,2,3-trimethoxy-7-propylnaphthalene?
The canonical SMILES for 1,2,3-trimethoxy-7-propylnaphthalene is CCCc1ccc2cc(OC)c(OC)c(OC)c2c1.
What is the InChIKey of 1,2,3-trimethoxy-7-propylnaphthalene?
The InChIKey is KNLMXTDNJUBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-5-6-11-7-8-12-10-14(17-2)16(19-4)15(18-3)13(12)9-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,2,3-trimethoxy-7-propylnaphthalene?
1,2,3-trimethoxy-7-propylnaphthalene has a molecular weight of 260.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-7-propylnaphthalene is sourced from PubChem (CID 150838328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).