2-[bis(5-methylthiophen-2-yl)methyl]phenol

C17H16OS2 — CID 135031967

IUPAC2-[bis(5-methylthiophen-2-yl)methyl]phenol
SMILESCc1ccc(C(c2ccc(C)s2)c2ccccc2O)s1
InChIInChI=1S/C17H16OS2/c1-11-7-9-15(19-11)17(16-10-8-12(2)20-16)13-5-3-4-6-14(13)18/h3-10,17-18H,1-2H3
InChIKeyYVTFHWLBRMUMCN-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.31
Rot. Bonds3

About 2-[bis(5-methylthiophen-2-yl)methyl]phenol

2-[bis(5-methylthiophen-2-yl)methyl]phenol (PubChem CID 135031967) has the molecular formula C17H16OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[bis(5-methylthiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[bis(5-methylthiophen-2-yl)methyl]phenol
PubChem CID135031967
Molecular FormulaC17H16OS2
Molecular Weight300.45 g/mol
Exact Mass300.06
IUPAC Name2-[bis(5-methylthiophen-2-yl)methyl]phenol
SMILESCc1ccc(C(c2ccc(C)s2)c2ccccc2O)s1
InChIInChI=1S/C17H16OS2/c1-11-7-9-15(19-11)17(16-10-8-12(2)20-16)13-5-3-4-6-14(13)18/h3-10,17-18H,1-2H3
InChIKeyYVTFHWLBRMUMCN-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
CID 61101714
(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198024
2-[chloro-(2-fluorophenyl)methyl]-5-methylthiophene
CID 61082346
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
2-[bromo-(2-methoxyphenyl)methyl]-5-methylthiophene
CID 61085099
2-[bromo-[2-(difluoromethoxy)phenyl]methyl]-5-methylthiophene
CID 63435734
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
2,2-bis(5-methylthiophen-2-yl)acetic acid
CID 6611979
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79596868
[(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318725
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060

Frequently Asked Questions

What is the IUPAC name of 2-[bis(5-methylthiophen-2-yl)methyl]phenol?
The IUPAC name of 2-[bis(5-methylthiophen-2-yl)methyl]phenol (CID 135031967) is 2-[bis(5-methylthiophen-2-yl)methyl]phenol.
What is the SMILES notation for 2-[bis(5-methylthiophen-2-yl)methyl]phenol?
The canonical SMILES for 2-[bis(5-methylthiophen-2-yl)methyl]phenol is Cc1ccc(C(c2ccc(C)s2)c2ccccc2O)s1.
What is the InChIKey of 2-[bis(5-methylthiophen-2-yl)methyl]phenol?
The InChIKey is YVTFHWLBRMUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS2/c1-11-7-9-15(19-11)17(16-10-8-12(2)20-16)13-5-3-4-6-14(13)18/h3-10,17-18H,1-2H3.
What are the key properties of 2-[bis(5-methylthiophen-2-yl)methyl]phenol?
2-[bis(5-methylthiophen-2-yl)methyl]phenol has a molecular weight of 300.45 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(5-methylthiophen-2-yl)methyl]phenol is sourced from PubChem (CID 135031967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).