3-(dithiophen-2-ylmethyl)phenol

C15H12OS2 — CID 46201100

IUPAC3-(dithiophen-2-ylmethyl)phenol
SMILESOc1cccc(C(c2cccs2)c2cccs2)c1
InChIInChI=1S/C15H12OS2/c16-12-5-1-4-11(10-12)15(13-6-2-8-17-13)14-7-3-9-18-14/h1-10,15-16H
InChIKeyUVFAYKRECIHRIO-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.70
Rot. Bonds3

About 3-(dithiophen-2-ylmethyl)phenol

3-(dithiophen-2-ylmethyl)phenol (PubChem CID 46201100) has the molecular formula C15H12OS2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(dithiophen-2-ylmethyl)phenol.

Molecular Properties

Compound Name3-(dithiophen-2-ylmethyl)phenol
PubChem CID46201100
Molecular FormulaC15H12OS2
Molecular Weight272.39 g/mol
Exact Mass272.03
IUPAC Name3-(dithiophen-2-ylmethyl)phenol
SMILESOc1cccc(C(c2cccs2)c2cccs2)c1
InChIInChI=1S/C15H12OS2/c16-12-5-1-4-11(10-12)15(13-6-2-8-17-13)14-7-3-9-18-14/h1-10,15-16H
InChIKeyUVFAYKRECIHRIO-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43723051
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
CID 115527711
2-[(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethyl]-4,6-dimethylphenol
CID 19351800
2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 22338935
ethane;phenol;2-propan-2-ylthiophene
CID 161233504
3-(2-bromo-1,2-dichloroethyl)phenol
CID 141376760
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide
CID 90889181
(2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid
CID 97203516
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066

Frequently Asked Questions

What is the IUPAC name of 3-(dithiophen-2-ylmethyl)phenol?
The IUPAC name of 3-(dithiophen-2-ylmethyl)phenol (CID 46201100) is 3-(dithiophen-2-ylmethyl)phenol.
What is the SMILES notation for 3-(dithiophen-2-ylmethyl)phenol?
The canonical SMILES for 3-(dithiophen-2-ylmethyl)phenol is Oc1cccc(C(c2cccs2)c2cccs2)c1.
What is the InChIKey of 3-(dithiophen-2-ylmethyl)phenol?
The InChIKey is UVFAYKRECIHRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS2/c16-12-5-1-4-11(10-12)15(13-6-2-8-17-13)14-7-3-9-18-14/h1-10,15-16H.
What are the key properties of 3-(dithiophen-2-ylmethyl)phenol?
3-(dithiophen-2-ylmethyl)phenol has a molecular weight of 272.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dithiophen-2-ylmethyl)phenol is sourced from PubChem (CID 46201100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).