1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione

C15H14O2S — CID 135990626

IUPAC1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione
SMILESCOc1ccc(CC(=S)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O2S/c1-17-14-8-2-11(3-9-14)10-15(18)12-4-6-13(16)7-5-12/h2-9,16H,10H2,1H3
InChIKeyJASGYVRGIYEHMJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione

1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione (PubChem CID 135990626) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione
PubChem CID135990626
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione
SMILESCOc1ccc(CC(=S)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O2S/c1-17-14-8-2-11(3-9-14)10-15(18)12-4-6-13(16)7-5-12/h2-9,16H,10H2,1H3
InChIKeyJASGYVRGIYEHMJ-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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bis(4-methoxyphenol);zirconium(2+);dichloride
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2-(4-hydroxyphenyl)-N'-(4-methoxyphenyl)acetohydrazide
CID 86181946
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(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
4-[(E)-2-(4-hydroxyphenyl)-1,2-diphenylethenyl]phenol;methane;[4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]phenyl]methanol
CID 158056261
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)but-2-enal
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4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
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CID 22157586

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione (CID 135990626) is 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione is COc1ccc(CC(=S)c2ccc(O)cc2)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione?
The InChIKey is JASGYVRGIYEHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-17-14-8-2-11(3-9-14)10-15(18)12-4-6-13(16)7-5-12/h2-9,16H,10H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione?
1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione has a molecular weight of 258.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione is sourced from PubChem (CID 135990626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).