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

C18H22O2S — CID 142273293

IUPACethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
SMILESCC.CC(=O)CSC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H16O2S.C2H6/c1-12(17)11-19-16(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14;1-2/h2-10,16,18H,11H2,1H3;1-2H3
InChIKeyIOKVDRIDIGOEJC-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.83
Rot. Bonds5

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

ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one (PubChem CID 142273293) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one.

Molecular Properties

Compound Nameethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
PubChem CID142273293
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Nameethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
SMILESCC.CC(=O)CSC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H16O2S.C2H6/c1-12(17)11-19-16(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14;1-2/h2-10,16,18H,11H2,1H3;1-2H3
InChIKeyIOKVDRIDIGOEJC-UHFFFAOYSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
CID 142273294
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 ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one?
The IUPAC name of ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one (CID 142273293) is ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one.
What is the SMILES notation for ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one?
The canonical SMILES for ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one is CC.CC(=O)CSC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one?
The InChIKey is IOKVDRIDIGOEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S.C2H6/c1-12(17)11-19-16(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14;1-2/h2-10,16,18H,11H2,1H3;1-2H3.
What are the key properties of ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one?
ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one has a molecular weight of 302.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one is sourced from PubChem (CID 142273293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).