2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene

C18H18OS — CID 67595197

IUPAC2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
SMILESCOc1ccc2cc(C(C)Cc3cccs3)ccc2c1
InChIInChI=1S/C18H18OS/c1-13(10-18-4-3-9-20-18)14-5-6-16-12-17(19-2)8-7-15(16)11-14/h3-9,11-13H,10H2,1-2H3
InChIKeyYPLQPBRUWPFGET-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.26
Rot. Bonds4

About 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene

2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene (PubChem CID 67595197) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene.

Molecular Properties

Compound Name2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
PubChem CID67595197
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
SMILESCOc1ccc2cc(C(C)Cc3cccs3)ccc2c1
InChIInChI=1S/C18H18OS/c1-13(10-18-4-3-9-20-18)14-5-6-16-12-17(19-2)8-7-15(16)11-14/h3-9,11-13H,10H2,1-2H3
InChIKeyYPLQPBRUWPFGET-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 45351967
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783067
2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
CID 54435579
1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
CID 117246169
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene?
The IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene (CID 67595197) is 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene.
What is the SMILES notation for 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene?
The canonical SMILES for 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene is COc1ccc2cc(C(C)Cc3cccs3)ccc2c1.
What is the InChIKey of 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene?
The InChIKey is YPLQPBRUWPFGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-13(10-18-4-3-9-20-18)14-5-6-16-12-17(19-2)8-7-15(16)11-14/h3-9,11-13H,10H2,1-2H3.
What are the key properties of 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene?
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene has a molecular weight of 282.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene is sourced from PubChem (CID 67595197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).