1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol

C16H20O2S — CID 65146129

IUPAC1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
SMILESCCCOc1cccc(C(O)CCc2cccs2)c1
InChIInChI=1S/C16H20O2S/c1-2-10-18-14-6-3-5-13(12-14)16(17)9-8-15-7-4-11-19-15/h3-7,11-12,16-17H,2,8-10H2,1H3
InChIKeyBQOUKGLMUNQWSV-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.20
Rot. Bonds7

About 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol

1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 65146129) has the molecular formula C16H20O2S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID65146129
Molecular FormulaC16H20O2S
Molecular Weight276.40 g/mol
Exact Mass276.12
IUPAC Name1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
SMILESCCCOc1cccc(C(O)CCc2cccs2)c1
InChIInChI=1S/C16H20O2S/c1-2-10-18-14-6-3-5-13(12-14)16(17)9-8-15-7-4-11-19-15/h3-7,11-12,16-17H,2,8-10H2,1H3
InChIKeyBQOUKGLMUNQWSV-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800352
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 39374683
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 55132743
N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 62920874
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol (CID 65146129) is 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol is CCCOc1cccc(C(O)CCc2cccs2)c1.
What is the InChIKey of 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is BQOUKGLMUNQWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2S/c1-2-10-18-14-6-3-5-13(12-14)16(17)9-8-15-7-4-11-19-15/h3-7,11-12,16-17H,2,8-10H2,1H3.
What are the key properties of 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol?
1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65146129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).