1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene

C16H20O3S — CID 21117107

IUPAC1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
SMILESCC(O)SC(C)O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H10O2S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(5)7-4(2)6/h1-10H;3-6H,1-2H3
InChIKeyCHIWQEQGLZGZDJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.88
Rot. Bonds4

About 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene

1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene (PubChem CID 21117107) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene.

Molecular Properties

Compound Name1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
PubChem CID21117107
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Name1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
SMILESCC(O)SC(C)O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H10O2S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(5)7-4(2)6/h1-10H;3-6H,1-2H3
InChIKeyCHIWQEQGLZGZDJ-UHFFFAOYSA-N
XLogP3.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
1-(3-phenoxyphenyl)ethanol
CID 12882419
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
phenoxybenzene;propane-2,2-diol
CID 174556232
2-methylpropylalumane;phenoxybenzene
CID 175332476
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
3-methylbutan-1-ol;phenoxybenzene
CID 175265119
boric acid;phenoxybenzene
CID 66799508
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene?
The IUPAC name of 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene (CID 21117107) is 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene.
What is the SMILES notation for 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene?
The canonical SMILES for 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene is CC(O)SC(C)O.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene?
The InChIKey is CHIWQEQGLZGZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C4H10O2S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(5)7-4(2)6/h1-10H;3-6H,1-2H3.
What are the key properties of 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene?
1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene has a molecular weight of 292.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene is sourced from PubChem (CID 21117107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).