(3,5-dibutyl-2-thiophen-2-ylphenyl)methanol

C19H26OS — CID 11220386

IUPAC(3,5-dibutyl-2-thiophen-2-ylphenyl)methanol
SMILESCCCCc1cc(CO)c(-c2cccs2)c(CCCC)c1
InChIInChI=1S/C19H26OS/c1-3-5-8-15-12-16(9-6-4-2)19(17(13-15)14-20)18-10-7-11-21-18/h7,10-13,20H,3-6,8-9,14H2,1-2H3
InChIKeyVOIZSXIFPRKRGS-UHFFFAOYSA-N
MW302.48 g/mol
LogP5.59
Rot. Bonds8

About (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol

(3,5-dibutyl-2-thiophen-2-ylphenyl)methanol (PubChem CID 11220386) has the molecular formula C19H26OS and a molecular weight of 302.48 g/mol. Its IUPAC name is (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol.

Molecular Properties

Compound Name(3,5-dibutyl-2-thiophen-2-ylphenyl)methanol
PubChem CID11220386
Molecular FormulaC19H26OS
Molecular Weight302.48 g/mol
Exact Mass302.17
IUPAC Name(3,5-dibutyl-2-thiophen-2-ylphenyl)methanol
SMILESCCCCc1cc(CO)c(-c2cccs2)c(CCCC)c1
InChIInChI=1S/C19H26OS/c1-3-5-8-15-12-16(9-6-4-2)19(17(13-15)14-20)18-10-7-11-21-18/h7,10-13,20H,3-6,8-9,14H2,1-2H3
InChIKeyVOIZSXIFPRKRGS-UHFFFAOYSA-N
XLogP5.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol?
The IUPAC name of (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol (CID 11220386) is (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol.
What is the SMILES notation for (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol?
The canonical SMILES for (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol is CCCCc1cc(CO)c(-c2cccs2)c(CCCC)c1.
What is the InChIKey of (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol?
The InChIKey is VOIZSXIFPRKRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26OS/c1-3-5-8-15-12-16(9-6-4-2)19(17(13-15)14-20)18-10-7-11-21-18/h7,10-13,20H,3-6,8-9,14H2,1-2H3.
What are the key properties of (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol?
(3,5-dibutyl-2-thiophen-2-ylphenyl)methanol has a molecular weight of 302.48 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibutyl-2-thiophen-2-ylphenyl)methanol is sourced from PubChem (CID 11220386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).