3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol

C20H14O2S — CID 102482810

IUPAC3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol
SMILESOc1ccccc1-c1cc(O)c2ccccc2c1-c1cccs1
InChIInChI=1S/C20H14O2S/c21-17-9-4-3-7-14(17)16-12-18(22)13-6-1-2-8-15(13)20(16)19-10-5-11-23-19/h1-12,21-22H
InChIKeyTXEVGAXTIGBYEO-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.65
Rot. Bonds2

About 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol

3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol (PubChem CID 102482810) has the molecular formula C20H14O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol
PubChem CID102482810
Molecular FormulaC20H14O2S
Molecular Weight318.40 g/mol
Exact Mass318.07
IUPAC Name3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol
SMILESOc1ccccc1-c1cc(O)c2ccccc2c1-c1cccs1
InChIInChI=1S/C20H14O2S/c21-17-9-4-3-7-14(17)16-12-18(22)13-6-1-2-8-15(13)20(16)19-10-5-11-23-19/h1-12,21-22H
InChIKeyTXEVGAXTIGBYEO-UHFFFAOYSA-N
XLogP5.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol?
The IUPAC name of 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol (CID 102482810) is 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol.
What is the SMILES notation for 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol?
The canonical SMILES for 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol is Oc1ccccc1-c1cc(O)c2ccccc2c1-c1cccs1.
What is the InChIKey of 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol?
The InChIKey is TXEVGAXTIGBYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2S/c21-17-9-4-3-7-14(17)16-12-18(22)13-6-1-2-8-15(13)20(16)19-10-5-11-23-19/h1-12,21-22H.
What are the key properties of 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol?
3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol has a molecular weight of 318.40 g/mol, XLogP of 5.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-4-thiophen-2-ylnaphthalen-1-ol is sourced from PubChem (CID 102482810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).