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

C14H16O2S — CID 79450575

IUPAC2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
SMILESOCC(CO)(Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H16O2S/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8,15-16H,9-11H2
InChIKeyWWCKSJUDFHAUKC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.21
Rot. Bonds5

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

2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol (PubChem CID 79450575) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
PubChem CID79450575
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
SMILESOCC(CO)(Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H16O2S/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8,15-16H,9-11H2
InChIKeyWWCKSJUDFHAUKC-UHFFFAOYSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79447054
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2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol
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2-methyl-1-thiophen-2-ylpropan-2-amine
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2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 105411067
2-methyl-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 55149935
2-benzyl-3-thiophen-2-ylpropane-1,2-diamine
CID 57074689
2-(2,2-difluoro-2-iodoethyl)thiophene
CID 175168405
2-(hydroxymethyl)-2-phenylpropane-1,3-diol;isocyanic acid
CID 175313364
2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine
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3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol (CID 79450575) is 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol is OCC(CO)(Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol?
The InChIKey is WWCKSJUDFHAUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8,15-16H,9-11H2.
What are the key properties of 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol?
2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol has a molecular weight of 248.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 79450575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).