2-(4-hydroxyphenyl)ethanethial

C8H8OS — CID 54570188

IUPAC2-(4-hydroxyphenyl)ethanethial
SMILESOc1ccc(CC=S)cc1
InChIInChI=1S/C8H8OS/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6,9H,5H2
InChIKeyWMFCFDHJKYGMNV-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.93
Rot. Bonds2

About 2-(4-hydroxyphenyl)ethanethial

2-(4-hydroxyphenyl)ethanethial (PubChem CID 54570188) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethanethial.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethanethial
PubChem CID54570188
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2-(4-hydroxyphenyl)ethanethial
SMILESOc1ccc(CC=S)cc1
InChIInChI=1S/C8H8OS/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6,9H,5H2
InChIKeyWMFCFDHJKYGMNV-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-3-fluoroprop-2-enyl]phenol
CID 22256147
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
(2Z,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
CID 131752689
1,3-bis(4-hydroxyphenyl)propane-2-thione
CID 88666976
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
4-(hydroxymethyl)phenol;hydrate
CID 141133894
4-(phosphanylmethyl)phenol
CID 58879736
4-(iodomethyl)phenol
CID 11241787
2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride
CID 76547169
bis(cyclopenta-1,3-diene);bis(4-prop-2-enylphenol);zirconium(2+)
CID 141004777

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethanethial?
The IUPAC name of 2-(4-hydroxyphenyl)ethanethial (CID 54570188) is 2-(4-hydroxyphenyl)ethanethial.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethanethial?
The canonical SMILES for 2-(4-hydroxyphenyl)ethanethial is Oc1ccc(CC=S)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethanethial?
The InChIKey is WMFCFDHJKYGMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6,9H,5H2.
What are the key properties of 2-(4-hydroxyphenyl)ethanethial?
2-(4-hydroxyphenyl)ethanethial has a molecular weight of 152.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethanethial is sourced from PubChem (CID 54570188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).