[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate

C15H20O3 — CID 90842495

IUPAC[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate
SMILESCCCC(=O)O[C@H]1CCCc2cc(OC)ccc21
InChIInChI=1S/C15H20O3/c1-3-5-15(16)18-14-7-4-6-11-10-12(17-2)8-9-13(11)14/h8-10,14H,3-7H2,1-2H3/t14-/m0/s1
InChIKeySQTFDZSEDZBLEY-AWEZNQCLSA-N
MW248.32 g/mol
LogP3.42
Rot. Bonds4

About [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate

[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate (PubChem CID 90842495) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate.

Molecular Properties

Compound Name[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate
PubChem CID90842495
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate
SMILESCCCC(=O)O[C@H]1CCCc2cc(OC)ccc21
InChIInChI=1S/C15H20O3/c1-3-5-15(16)18-14-7-4-6-11-10-12(17-2)8-9-13(11)14/h8-10,14H,3-7H2,1-2H3/t14-/m0/s1
InChIKeySQTFDZSEDZBLEY-AWEZNQCLSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate
CID 58030996
[(1S)-5-(3-bromopropoxy)-2,3-dihydro-1H-inden-1-yl] butanoate
CID 90703290
[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568925
[(1S)-5-(dimethylcarbamoylsulfanyl)-2,3-dihydro-1H-inden-1-yl] butanoate
CID 91239143
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
[(1S)-5-[3-[(5-cyano-2-pyridinyl)amino]propoxy]-2,3-dihydro-1H-inden-1-yl] butanoate
CID 91113157
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
CID 22922665
(2,3-difluoro-5-methoxy-2,3-dihydro-1H-inden-1-yl) butanoate
CID 90800135
N,N-diethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115712646
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353

Frequently Asked Questions

What is the IUPAC name of [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate?
The IUPAC name of [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate (CID 90842495) is [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate.
What is the SMILES notation for [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate?
The canonical SMILES for [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate is CCCC(=O)O[C@H]1CCCc2cc(OC)ccc21.
What is the InChIKey of [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate?
The InChIKey is SQTFDZSEDZBLEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-5-15(16)18-14-7-4-6-11-10-12(17-2)8-9-13(11)14/h8-10,14H,3-7H2,1-2H3/t14-/m0/s1.
What are the key properties of [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate?
[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate has a molecular weight of 248.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate is sourced from PubChem (CID 90842495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).