[5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol

C16H20OS — CID 82090304

IUPAC[5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol
SMILESCc1ccc(C(C)(C)C)cc1-c1ccc(CO)s1
InChIInChI=1S/C16H20OS/c1-11-5-6-12(16(2,3)4)9-14(11)15-8-7-13(10-17)18-15/h5-9,17H,10H2,1-4H3
InChIKeyMRJJVXSNIPKJCH-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.51
Rot. Bonds2

About [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol

[5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol (PubChem CID 82090304) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol
PubChem CID82090304
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name[5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol
SMILESCc1ccc(C(C)(C)C)cc1-c1ccc(CO)s1
InChIInChI=1S/C16H20OS/c1-11-5-6-12(16(2,3)4)9-14(11)15-8-7-13(10-17)18-15/h5-9,17H,10H2,1-4H3
InChIKeyMRJJVXSNIPKJCH-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol?
The IUPAC name of [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol (CID 82090304) is [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol is Cc1ccc(C(C)(C)C)cc1-c1ccc(CO)s1.
What is the InChIKey of [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol?
The InChIKey is MRJJVXSNIPKJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-11-5-6-12(16(2,3)4)9-14(11)15-8-7-13(10-17)18-15/h5-9,17H,10H2,1-4H3.
What are the key properties of [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol?
[5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol has a molecular weight of 260.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol is sourced from PubChem (CID 82090304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).