7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H23NO3 — CID 103537692

IUPAC7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N1CCC(OC)C1)CC2
InChIInChI=1S/C16H23NO3/c1-19-12-5-3-11-4-6-15(16(18)14(11)9-12)17-8-7-13(10-17)20-2/h3,5,9,13,15-16,18H,4,6-8,10H2,1-2H3
InChIKeyYKNWMWAQKXIWRG-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.76
Rot. Bonds3

About 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 103537692) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID103537692
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N1CCC(OC)C1)CC2
InChIInChI=1S/C16H23NO3/c1-19-12-5-3-11-4-6-15(16(18)14(11)9-12)17-8-7-13(10-17)20-2/h3,5,9,13,15-16,18H,4,6-8,10H2,1-2H3
InChIKeyYKNWMWAQKXIWRG-UHFFFAOYSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115561358
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248788
2-(3-methoxypyrrolidin-1-yl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103532366
6-methoxy-2-(4-methoxypiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79370088
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
CID 103536869
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
2-[cyclopropyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247998
7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234946
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115559637

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 103537692) is 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc2c(c1)C(O)C(N1CCC(OC)C1)CC2.
What is the InChIKey of 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is YKNWMWAQKXIWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-12-5-3-11-4-6-15(16(18)14(11)9-12)17-8-7-13(10-17)20-2/h3,5,9,13,15-16,18H,4,6-8,10H2,1-2H3.
What are the key properties of 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 277.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 103537692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).