(4-methylthiophen-3-yl)-(4-propylphenyl)methanol

C15H18OS — CID 79807812

IUPAC(4-methylthiophen-3-yl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2cscc2C)cc1
InChIInChI=1S/C15H18OS/c1-3-4-12-5-7-13(8-6-12)15(16)14-10-17-9-11(14)2/h5-10,15-16H,3-4H2,1-2H3
InChIKeyWTUNRPCTFGKLPC-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.09
Rot. Bonds4

About (4-methylthiophen-3-yl)-(4-propylphenyl)methanol

(4-methylthiophen-3-yl)-(4-propylphenyl)methanol (PubChem CID 79807812) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(4-propylphenyl)methanol.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(4-propylphenyl)methanol
PubChem CID79807812
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name(4-methylthiophen-3-yl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2cscc2C)cc1
InChIInChI=1S/C15H18OS/c1-3-4-12-5-7-13(8-6-12)15(16)14-10-17-9-11(14)2/h5-10,15-16H,3-4H2,1-2H3
InChIKeyWTUNRPCTFGKLPC-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808123
(2-fluorophenyl)-(4-propylphenyl)methanol
CID 61087386
(2,6-dimethyl-4-pyridinyl)-(4-propylphenyl)methanol
CID 107502916
(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067
(4-butylphenyl)-(2,4-dimethylphenyl)methanol
CID 63426615
N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79810445
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
(2-cyclopropylphenyl)-(4-propylphenyl)methanol
CID 79982407
(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
CID 79803069
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
CID 79808329

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(4-propylphenyl)methanol?
The IUPAC name of (4-methylthiophen-3-yl)-(4-propylphenyl)methanol (CID 79807812) is (4-methylthiophen-3-yl)-(4-propylphenyl)methanol.
What is the SMILES notation for (4-methylthiophen-3-yl)-(4-propylphenyl)methanol?
The canonical SMILES for (4-methylthiophen-3-yl)-(4-propylphenyl)methanol is CCCc1ccc(C(O)c2cscc2C)cc1.
What is the InChIKey of (4-methylthiophen-3-yl)-(4-propylphenyl)methanol?
The InChIKey is WTUNRPCTFGKLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-3-4-12-5-7-13(8-6-12)15(16)14-10-17-9-11(14)2/h5-10,15-16H,3-4H2,1-2H3.
What are the key properties of (4-methylthiophen-3-yl)-(4-propylphenyl)methanol?
(4-methylthiophen-3-yl)-(4-propylphenyl)methanol has a molecular weight of 246.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(4-propylphenyl)methanol is sourced from PubChem (CID 79807812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).