3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol

C17H14O2S — CID 44543261

IUPAC3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
SMILESCc1cc(-c2cccc(O)c2)sc1-c1cccc(O)c1
InChIInChI=1S/C17H14O2S/c1-11-8-16(12-4-2-6-14(18)9-12)20-17(11)13-5-3-7-15(19)10-13/h2-10,18-19H,1H3
InChIKeyLRHCSXOEZSEMIF-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.80
Rot. Bonds2

About 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol

3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol (PubChem CID 44543261) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
PubChem CID44543261
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
SMILESCc1cc(-c2cccc(O)c2)sc1-c1cccc(O)c1
InChIInChI=1S/C17H14O2S/c1-11-8-16(12-4-2-6-14(18)9-12)20-17(11)13-5-3-7-15(19)10-13/h2-10,18-19H,1H3
InChIKeyLRHCSXOEZSEMIF-UHFFFAOYSA-N
XLogP4.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol?
The IUPAC name of 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol (CID 44543261) is 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol.
What is the SMILES notation for 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol?
The canonical SMILES for 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol is Cc1cc(-c2cccc(O)c2)sc1-c1cccc(O)c1.
What is the InChIKey of 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol?
The InChIKey is LRHCSXOEZSEMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-11-8-16(12-4-2-6-14(18)9-12)20-17(11)13-5-3-7-15(19)10-13/h2-10,18-19H,1H3.
What are the key properties of 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol?
3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol has a molecular weight of 282.36 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-hydroxyphenyl)-4-methylthiophen-2-yl]phenol is sourced from PubChem (CID 44543261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).