1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one

C16H16O2S — CID 142273294

IUPAC1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
SMILESCC(=O)CSC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H16O2S/c1-12(17)11-19-16(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,16,18H,11H2,1H3
InChIKeyYGPKVHVPDTYYPQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.80
Rot. Bonds5

About 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one

1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one (PubChem CID 142273294) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
PubChem CID142273294
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
SMILESCC(=O)CSC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H16O2S/c1-12(17)11-19-16(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,16,18H,11H2,1H3
InChIKeyYGPKVHVPDTYYPQ-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
CID 142273293
1-[bis(4-chlorophenyl)methylsulfanyl]propan-2-one
CID 22049857
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
sodium 2-benzhydrylsulfanylacetate
CID 23709373
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
4-(4-hydroxyphenyl)sulfanyl-4-phenylbutan-2-one
CID 139679363
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
(4-methoxyphenyl) 2-benzhydrylsulfanylacetate
CID 18286545
2-benzhydrylsulfanylethanethioamide
CID 118871449
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one?
The IUPAC name of 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one (CID 142273294) is 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one.
What is the SMILES notation for 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one?
The canonical SMILES for 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one is CC(=O)CSC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one?
The InChIKey is YGPKVHVPDTYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-12(17)11-19-16(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,16,18H,11H2,1H3.
What are the key properties of 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one?
1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one has a molecular weight of 272.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one is sourced from PubChem (CID 142273294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).