1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol

C16H20OS — CID 116542561

IUPAC1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(C)(O)c2sccc2C)c1
InChIInChI=1S/C16H20OS/c1-4-6-13-7-5-8-14(11-13)16(3,17)15-12(2)9-10-18-15/h5,7-11,17H,4,6H2,1-3H3
InChIKeyMJOICRYZCRHRHQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol

1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol (PubChem CID 116542561) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol
PubChem CID116542561
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(C)(O)c2sccc2C)c1
InChIInChI=1S/C16H20OS/c1-4-6-13-7-5-8-14(11-13)16(3,17)15-12(2)9-10-18-15/h5,7-11,17H,4,6H2,1-3H3
InChIKeyMJOICRYZCRHRHQ-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol (CID 116542561) is 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol is CCCc1cccc(C(C)(O)c2sccc2C)c1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol?
The InChIKey is MJOICRYZCRHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-4-6-13-7-5-8-14(11-13)16(3,17)15-12(2)9-10-18-15/h5,7-11,17H,4,6H2,1-3H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol?
1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol has a molecular weight of 260.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol is sourced from PubChem (CID 116542561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).