(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol

C15H18OS — CID 64985208

IUPAC(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2sccc2C)cc1C
InChIInChI=1S/C15H18OS/c1-9-5-6-17-15(9)14(16)13-8-11(3)10(2)7-12(13)4/h5-8,14,16H,1-4H3
InChIKeyKWGDNNIZBWIXCV-UHFFFAOYSA-N
MW246.37 g/mol
LogP4.06
Rot. Bonds2

About (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol

(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol (PubChem CID 64985208) has the molecular formula C15H18OS and a molecular weight of 246.37 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
PubChem CID64985208
Molecular FormulaC15H18OS
Molecular Weight246.37 g/mol
Exact Mass246.11
IUPAC Name(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2sccc2C)cc1C
InChIInChI=1S/C15H18OS/c1-9-5-6-17-15(9)14(16)13-8-11(3)10(2)7-12(13)4/h5-8,14,16H,1-4H3
InChIKeyKWGDNNIZBWIXCV-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702
(2-aminophenyl)-(3-methylthiophen-2-yl)methanol
CID 79987439
(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 66272658
(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 82773068
(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 107502869
(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 81461208
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylthiophen-2-yl)methanol
CID 61087646
(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63893911
(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115484530
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
(4,5-dibromofuran-2-yl)-(3-methylthiophen-2-yl)methanol
CID 79990863
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol (CID 64985208) is (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2sccc2C)cc1C.
What is the InChIKey of (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol?
The InChIKey is KWGDNNIZBWIXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-9-5-6-17-15(9)14(16)13-8-11(3)10(2)7-12(13)4/h5-8,14,16H,1-4H3.
What are the key properties of (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol?
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol has a molecular weight of 246.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 64985208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).