1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol

C17H16OS — CID 62606396

IUPAC1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
SMILESOC(Cc1cccs1)Cc1cccc2ccccc12
InChIInChI=1S/C17H16OS/c18-15(12-16-8-4-10-19-16)11-14-7-3-6-13-5-1-2-9-17(13)14/h1-10,15,18H,11-12H2
InChIKeySILQWEAELNMQIL-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.05
Rot. Bonds4

About 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol

1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol (PubChem CID 62606396) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
PubChem CID62606396
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
SMILESOC(Cc1cccs1)Cc1cccc2ccccc12
InChIInChI=1S/C17H16OS/c18-15(12-16-8-4-10-19-16)11-14-7-3-6-13-5-1-2-9-17(13)14/h1-10,15,18H,11-12H2
InChIKeySILQWEAELNMQIL-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
CID 105101445
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
1-(dimethylamino)-3-naphthalen-1-ylpropan-2-ol
CID 79088048
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol
CID 105126282
1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol (CID 62606396) is 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol is OC(Cc1cccs1)Cc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol?
The InChIKey is SILQWEAELNMQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c18-15(12-16-8-4-10-19-16)11-14-7-3-6-13-5-1-2-9-17(13)14/h1-10,15,18H,11-12H2.
What are the key properties of 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol?
1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol has a molecular weight of 268.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 62606396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).