[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol

C18H16O2S — CID 54262502

IUPAC[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol
SMILESOCc1cccc(COc2cccc(-c3ccsc3)c2)c1
InChIInChI=1S/C18H16O2S/c19-11-14-3-1-4-15(9-14)12-20-18-6-2-5-16(10-18)17-7-8-21-13-17/h1-10,13,19H,11-12H2
InChIKeyREMPKSPEJPELIJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.49
Rot. Bonds5

About [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol

[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol (PubChem CID 54262502) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol
PubChem CID54262502
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol
SMILESOCc1cccc(COc2cccc(-c3ccsc3)c2)c1
InChIInChI=1S/C18H16O2S/c19-11-14-3-1-4-15(9-14)12-20-18-6-2-5-16(10-18)17-7-8-21-13-17/h1-10,13,19H,11-12H2
InChIKeyREMPKSPEJPELIJ-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol
CID 54042628
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
8,8-dimethyl-2-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]non-4-en-6-yn-1-ol
CID 54036348
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
3-(3-pent-4-enoxyphenyl)thiophene
CID 19086978
3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid
CID 11623751
(E)-N-ethyl-6,6-dimethyl-N-[[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methyl]hept-2-en-4-yn-1-amine;hydrochloride
CID 19744702
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde
CID 54097921
[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
CID 172877663
N-ethyl-2-fluoro-6,6-dimethyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
CID 173375804
[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 177328592

Frequently Asked Questions

What is the IUPAC name of [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol?
The IUPAC name of [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol (CID 54262502) is [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol?
The canonical SMILES for [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol is OCc1cccc(COc2cccc(-c3ccsc3)c2)c1.
What is the InChIKey of [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol?
The InChIKey is REMPKSPEJPELIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c19-11-14-3-1-4-15(9-14)12-20-18-6-2-5-16(10-18)17-7-8-21-13-17/h1-10,13,19H,11-12H2.
What are the key properties of [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol?
[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol has a molecular weight of 296.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol is sourced from PubChem (CID 54262502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).