1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol

C16H20O2S — CID 105097903

IUPAC1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
SMILESCc1cccc(OCCC(O)CCc2ccsc2)c1
InChIInChI=1S/C16H20O2S/c1-13-3-2-4-16(11-13)18-9-7-15(17)6-5-14-8-10-19-12-14/h2-4,8,10-12,15,17H,5-7,9H2,1H3
InChIKeyYYZPPBIHAAFNOH-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.82
Rot. Bonds7

About 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol

1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol (PubChem CID 105097903) has the molecular formula C16H20O2S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
PubChem CID105097903
Molecular FormulaC16H20O2S
Molecular Weight276.40 g/mol
Exact Mass276.12
IUPAC Name1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
SMILESCc1cccc(OCCC(O)CCc2ccsc2)c1
InChIInChI=1S/C16H20O2S/c1-13-3-2-4-16(11-13)18-9-7-15(17)6-5-14-8-10-19-12-14/h2-4,8,10-12,15,17H,5-7,9H2,1H3
InChIKeyYYZPPBIHAAFNOH-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-yl]hydrazine
CID 105306880
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
CID 105127429
(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
CID 78956541
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
2-methyl-1-[2-(3-methylphenoxy)ethyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111366801
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
CID 79417369

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol?
The IUPAC name of 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol (CID 105097903) is 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol?
The canonical SMILES for 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol is Cc1cccc(OCCC(O)CCc2ccsc2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol?
The InChIKey is YYZPPBIHAAFNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2S/c1-13-3-2-4-16(11-13)18-9-7-15(17)6-5-14-8-10-19-12-14/h2-4,8,10-12,15,17H,5-7,9H2,1H3.
What are the key properties of 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol?
1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol has a molecular weight of 276.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol is sourced from PubChem (CID 105097903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).