2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene

C19H22OS — CID 158710267

IUPAC2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene
SMILESCCCC[C@H](OC1=CCCc2ccccc21)c1cccs1
InChIInChI=1S/C19H22OS/c1-2-3-11-18(19-13-7-14-21-19)20-17-12-6-9-15-8-4-5-10-16(15)17/h4-5,7-8,10,12-14,18H,2-3,6,9,11H2,1H3/t18-/m0/s1
InChIKeyIIPXSGVHNMRMET-SFHVURJKSA-N
MW298.45 g/mol
LogP5.98
Rot. Bonds6

About 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene

2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene (PubChem CID 158710267) has the molecular formula C19H22OS and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene.

Molecular Properties

Compound Name2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene
PubChem CID158710267
Molecular FormulaC19H22OS
Molecular Weight298.45 g/mol
Exact Mass298.14
IUPAC Name2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene
SMILESCCCC[C@H](OC1=CCCc2ccccc21)c1cccs1
InChIInChI=1S/C19H22OS/c1-2-3-11-18(19-13-7-14-21-19)20-17-12-6-9-15-8-4-5-10-16(15)17/h4-5,7-8,10,12-14,18H,2-3,6,9,11H2,1H3/t18-/m0/s1
InChIKeyIIPXSGVHNMRMET-SFHVURJKSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butoxy-1,2-dihydronaphthalene
CID 123157654
tributyl(3,4-dihydronaphthalen-1-yloxy)stannane
CID 16689009
3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane
CID 144517002
(3R,5S)-3,5-dimethyl-1-[3-(1-thiophen-2-ylpentoxy)phenyl]piperazine
CID 159147742
2-[1-(deuteriomethoxy)hexyl]thiophene
CID 162513207
2-(1-thiophen-2-ylnonoxy)ethanol
CID 173348232
2-heptadecan-5-ylthiophene
CID 19734009
5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine
CID 118530471
N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide
CID 161213213
(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane
CID 11464479
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
2-tetradecan-7-ylthiophene
CID 137450901

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene?
The IUPAC name of 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene (CID 158710267) is 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene.
What is the SMILES notation for 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene?
The canonical SMILES for 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene is CCCC[C@H](OC1=CCCc2ccccc21)c1cccs1.
What is the InChIKey of 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene?
The InChIKey is IIPXSGVHNMRMET-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22OS/c1-2-3-11-18(19-13-7-14-21-19)20-17-12-6-9-15-8-4-5-10-16(15)17/h4-5,7-8,10,12-14,18H,2-3,6,9,11H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene?
2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene has a molecular weight of 298.45 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene is sourced from PubChem (CID 158710267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).