(4-phenyl-5-propylthiophen-2-yl)methanol

C14H16OS — CID 58438968

IUPAC(4-phenyl-5-propylthiophen-2-yl)methanol
SMILESCCCc1sc(CO)cc1-c1ccccc1
InChIInChI=1S/C14H16OS/c1-2-6-14-13(9-12(10-15)16-14)11-7-4-3-5-8-11/h3-5,7-9,15H,2,6,10H2,1H3
InChIKeyQQRBTRZQJUZDBH-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.86
Rot. Bonds4

About (4-phenyl-5-propylthiophen-2-yl)methanol

(4-phenyl-5-propylthiophen-2-yl)methanol (PubChem CID 58438968) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is (4-phenyl-5-propylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-phenyl-5-propylthiophen-2-yl)methanol
PubChem CID58438968
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name(4-phenyl-5-propylthiophen-2-yl)methanol
SMILESCCCc1sc(CO)cc1-c1ccccc1
InChIInChI=1S/C14H16OS/c1-2-6-14-13(9-12(10-15)16-14)11-7-4-3-5-8-11/h3-5,7-9,15H,2,6,10H2,1H3
InChIKeyQQRBTRZQJUZDBH-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-5-propylthiophen-2-yl)methanol?
The IUPAC name of (4-phenyl-5-propylthiophen-2-yl)methanol (CID 58438968) is (4-phenyl-5-propylthiophen-2-yl)methanol.
What is the SMILES notation for (4-phenyl-5-propylthiophen-2-yl)methanol?
The canonical SMILES for (4-phenyl-5-propylthiophen-2-yl)methanol is CCCc1sc(CO)cc1-c1ccccc1.
What is the InChIKey of (4-phenyl-5-propylthiophen-2-yl)methanol?
The InChIKey is QQRBTRZQJUZDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-2-6-14-13(9-12(10-15)16-14)11-7-4-3-5-8-11/h3-5,7-9,15H,2,6,10H2,1H3.
What are the key properties of (4-phenyl-5-propylthiophen-2-yl)methanol?
(4-phenyl-5-propylthiophen-2-yl)methanol has a molecular weight of 232.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-5-propylthiophen-2-yl)methanol is sourced from PubChem (CID 58438968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).