2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol

C15H16OS — CID 79990861

IUPAC2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1ccsc1C1(O)CCc2ccccc2C1
InChIInChI=1S/C15H16OS/c1-11-7-9-17-14(11)15(16)8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyKLNHEOLPJVOBQY-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.43
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol

2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 79990861) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID79990861
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1ccsc1C1(O)CCc2ccccc2C1
InChIInChI=1S/C15H16OS/c1-11-7-9-17-14(11)15(16)8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyKLNHEOLPJVOBQY-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol (CID 79990861) is 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol is Cc1ccsc1C1(O)CCc2ccccc2C1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is KLNHEOLPJVOBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-7-9-17-14(11)15(16)8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9,16H,6,8,10H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol?
2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 244.36 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 79990861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).