2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol

C14H15ClO2S — CID 79447253

IUPAC2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClO2S/c15-13-3-1-2-12(6-13)14(9-16,10-17)7-11-4-5-18-8-11/h1-6,8,16-17H,7,9-10H2
InChIKeyLQIAZOJZTAPEHW-UHFFFAOYSA-N
MW282.79 g/mol
LogP2.87
Rot. Bonds5

About 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol

2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol (PubChem CID 79447253) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol
PubChem CID79447253
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClO2S/c15-13-3-1-2-12(6-13)14(9-16,10-17)7-11-4-5-18-8-11/h1-6,8,16-17H,7,9-10H2
InChIKeyLQIAZOJZTAPEHW-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-(furan-3-ylmethyl)propane-1,3-diol
CID 83182538
2-(3-methylphenyl)-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450592
2-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79449871
2-(4-chlorophenyl)-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450489
1-(3-chlorophenyl)-1-thiophen-3-ylethanol
CID 65099490
2-(3-chlorophenyl)-2-(2-ethylbutyl)propane-1,3-diol
CID 82934889
2-(3-chlorophenyl)-2-(3-methylsulfanylpropyl)propane-1,3-diol
CID 113474741
2-(3-chlorophenyl)-2-(2-propan-2-ylsulfonylethyl)propane-1,3-diol
CID 106734816
2-amino-2-(3-chlorophenyl)butan-1-ol
CID 61054421
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
3-(3-chlorophenyl)-3,3-difluoropropan-1-ol
CID 105459745
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol (CID 79447253) is 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol is OCC(CO)(Cc1ccsc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol?
The InChIKey is LQIAZOJZTAPEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c15-13-3-1-2-12(6-13)14(9-16,10-17)7-11-4-5-18-8-11/h1-6,8,16-17H,7,9-10H2.
What are the key properties of 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol?
2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol has a molecular weight of 282.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(thiophen-3-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 79447253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).