1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene

C13H18O3 — CID 102014911

IUPAC1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(OC)C(OC)CC2
InChIInChI=1S/C13H18O3/c1-14-10-6-4-9-5-7-12(15-2)13(16-3)11(9)8-10/h4,6,8,12-13H,5,7H2,1-3H3
InChIKeyCQRGDNUOLFQJGH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.34
Rot. Bonds3

About 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene

1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 102014911) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID102014911
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(OC)C(OC)CC2
InChIInChI=1S/C13H18O3/c1-14-10-6-4-9-5-7-12(15-2)13(16-3)11(9)8-10/h4,6,8,12-13H,5,7H2,1-3H3
InChIKeyCQRGDNUOLFQJGH-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
6-methoxy-N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 79367052
(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene
CID 91360016
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248625

Frequently Asked Questions

What is the IUPAC name of 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene (CID 102014911) is 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)C(OC)C(OC)CC2.
What is the InChIKey of 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CQRGDNUOLFQJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-14-10-6-4-9-5-7-12(15-2)13(16-3)11(9)8-10/h4,6,8,12-13H,5,7H2,1-3H3.
What are the key properties of 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene?
1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 222.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 102014911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).