(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol

C14H16OS — CID 65100079

IUPAC(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C14H16OS/c1-9-4-5-12(6-10(9)2)14(15)13-7-11(3)16-8-13/h4-8,14-15H,1-3H3
InChIKeyIDOKFGBTDVLOKS-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.76
Rot. Bonds2

About (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol

(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 65100079) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID65100079
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C14H16OS/c1-9-4-5-12(6-10(9)2)14(15)13-7-11(3)16-8-13/h4-8,14-15H,1-3H3
InChIKeyIDOKFGBTDVLOKS-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807784
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099273
(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099789
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686
(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
CID 106756231
(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 65099676
(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099738
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(5-methylthiophen-2-yl)-(5-methylthiophen-3-yl)methanol
CID 65099731

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol (CID 65100079) is (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol is Cc1cc(C(O)c2ccc(C)c(C)c2)cs1.
What is the InChIKey of (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is IDOKFGBTDVLOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-9-4-5-12(6-10(9)2)14(15)13-7-11(3)16-8-13/h4-8,14-15H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol?
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 232.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 65100079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).