1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol

C18H18O2S — CID 65148591

IUPAC1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCOc1ccc2cc(C(O)CCc3ccsc3)ccc2c1
InChIInChI=1S/C18H18O2S/c1-20-17-6-5-14-10-16(4-3-15(14)11-17)18(19)7-2-13-8-9-21-12-13/h3-6,8-12,18-19H,2,7H2,1H3
InChIKeyIMPLCXUEPGOWBB-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.58
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol

1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 65148591) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID65148591
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCOc1ccc2cc(C(O)CCc3ccsc3)ccc2c1
InChIInChI=1S/C18H18O2S/c1-20-17-6-5-14-10-16(4-3-15(14)11-17)18(19)7-2-13-8-9-21-12-13/h3-6,8-12,18-19H,2,7H2,1H3
InChIKeyIMPLCXUEPGOWBB-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
CID 105379193
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
CID 65148590
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
CID 65148541
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
CID 62772783

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol (CID 65148591) is 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol is COc1ccc2cc(C(O)CCc3ccsc3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is IMPLCXUEPGOWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-20-17-6-5-14-10-16(4-3-15(14)11-17)18(19)7-2-13-8-9-21-12-13/h3-6,8-12,18-19H,2,7H2,1H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol?
1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65148591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).