2-methoxy-4-(thiophen-3-ylmethyl)phenol

C12H12O2S — CID 175997325

IUPAC2-methoxy-4-(thiophen-3-ylmethyl)phenol
SMILESCOc1cc(Cc2ccsc2)ccc1O
InChIInChI=1S/C12H12O2S/c1-14-12-7-9(2-3-11(12)13)6-10-4-5-15-8-10/h2-5,7-8,13H,6H2,1H3
InChIKeyOVCCXNNSBFDRAY-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.05
Rot. Bonds3

About 2-methoxy-4-(thiophen-3-ylmethyl)phenol

2-methoxy-4-(thiophen-3-ylmethyl)phenol (PubChem CID 175997325) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methoxy-4-(thiophen-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(thiophen-3-ylmethyl)phenol
PubChem CID175997325
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-methoxy-4-(thiophen-3-ylmethyl)phenol
SMILESCOc1cc(Cc2ccsc2)ccc1O
InChIInChI=1S/C12H12O2S/c1-14-12-7-9(2-3-11(12)13)6-10-4-5-15-8-10/h2-5,7-8,13H,6H2,1H3
InChIKeyOVCCXNNSBFDRAY-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl]-2-methoxyphenol
CID 174578571
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol
CID 174614895
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
ethane;2-methoxy-4-propylphenol
CID 144852330
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(thiophen-3-ylmethyl)phenol?
The IUPAC name of 2-methoxy-4-(thiophen-3-ylmethyl)phenol (CID 175997325) is 2-methoxy-4-(thiophen-3-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-4-(thiophen-3-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-4-(thiophen-3-ylmethyl)phenol is COc1cc(Cc2ccsc2)ccc1O.
What is the InChIKey of 2-methoxy-4-(thiophen-3-ylmethyl)phenol?
The InChIKey is OVCCXNNSBFDRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-14-12-7-9(2-3-11(12)13)6-10-4-5-15-8-10/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 2-methoxy-4-(thiophen-3-ylmethyl)phenol?
2-methoxy-4-(thiophen-3-ylmethyl)phenol has a molecular weight of 220.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(thiophen-3-ylmethyl)phenol is sourced from PubChem (CID 175997325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).