1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H15ClO3S — CID 109412716

IUPAC1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)COc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO3S/c15-11-3-5-13(6-4-11)18-9-12(16)8-17-10-14-2-1-7-19-14/h1-7,12,16H,8-10H2
InChIKeyPQUHUQABVRKDQJ-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.36
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 109412716) has the molecular formula C14H15ClO3S and a molecular weight of 298.79 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID109412716
Molecular FormulaC14H15ClO3S
Molecular Weight298.79 g/mol
Exact Mass298.04
IUPAC Name1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)COc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO3S/c15-11-3-5-13(6-4-11)18-9-12(16)8-17-10-14-2-1-7-19-14/h1-7,12,16H,8-10H2
InChIKeyPQUHUQABVRKDQJ-UHFFFAOYSA-N
XLogP3.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]benzonitrile
CID 97243421
7-[2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]-4-methylchromen-2-one
CID 109413306
1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60910138
1-(3-chloroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60896435
1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412942
1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123232
5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione
CID 55410125
4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]-2,3-dihydroinden-1-one
CID 109415621
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243258
(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 26007241

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 109412716) is 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(COCc1cccs1)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is PQUHUQABVRKDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3S/c15-11-3-5-13(6-4-11)18-9-12(16)8-17-10-14-2-1-7-19-14/h1-7,12,16H,8-10H2.
What are the key properties of 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 298.79 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 109412716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).