1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol

C18H16O2S — CID 65148023

IUPAC1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H16O2S/c19-18(11-14-9-10-21-13-14)15-5-4-8-17(12-15)20-16-6-2-1-3-7-16/h1-10,12-13,18-19H,11H2
InChIKeyJPAWGWGTQZXPGI-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.82
Rot. Bonds5

About 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol

1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol (PubChem CID 65148023) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol
PubChem CID65148023
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H16O2S/c19-18(11-14-9-10-21-13-14)15-5-4-8-17(12-15)20-16-6-2-1-3-7-16/h1-10,12-13,18-19H,11H2
InChIKeyJPAWGWGTQZXPGI-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717
1-(3-phenoxyphenyl)ethanol
CID 12882419
1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
CID 105121291
3-[2-bromo-2-[3-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63016507
(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
CID 78956541
1-(3-phenoxyphenyl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111598509
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 65148445
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol (CID 65148023) is 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol?
The InChIKey is JPAWGWGTQZXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c19-18(11-14-9-10-21-13-14)15-5-4-8-17(12-15)20-16-6-2-1-3-7-16/h1-10,12-13,18-19H,11H2.
What are the key properties of 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol?
1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol has a molecular weight of 296.39 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 65148023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).