3-[(3-chlorophenyl)methyl]thietan-3-ol

C10H11ClOS — CID 83689574

IUPAC3-[(3-chlorophenyl)methyl]thietan-3-ol
SMILESOC1(Cc2cccc(Cl)c2)CSC1
InChIInChI=1S/C10H11ClOS/c11-9-3-1-2-8(4-9)5-10(12)6-13-7-10/h1-4,12H,5-7H2
InChIKeyYSNXTDVGZGOEQA-UHFFFAOYSA-N
MW214.72 g/mol
LogP2.36
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]thietan-3-ol

3-[(3-chlorophenyl)methyl]thietan-3-ol (PubChem CID 83689574) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]thietan-3-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]thietan-3-ol
PubChem CID83689574
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name3-[(3-chlorophenyl)methyl]thietan-3-ol
SMILESOC1(Cc2cccc(Cl)c2)CSC1
InChIInChI=1S/C10H11ClOS/c11-9-3-1-2-8(4-9)5-10(12)6-13-7-10/h1-4,12H,5-7H2
InChIKeyYSNXTDVGZGOEQA-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 60799487
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682618
7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine
CID 79331073
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
3-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol
CID 166241879
4-(chloromethyl)-4-[(3-chlorophenyl)methyl]oxane
CID 66033526
1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618399
(3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol
CID 124883711
3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717323
tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
CID 71757706

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]thietan-3-ol?
The IUPAC name of 3-[(3-chlorophenyl)methyl]thietan-3-ol (CID 83689574) is 3-[(3-chlorophenyl)methyl]thietan-3-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]thietan-3-ol?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]thietan-3-ol is OC1(Cc2cccc(Cl)c2)CSC1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]thietan-3-ol?
The InChIKey is YSNXTDVGZGOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c11-9-3-1-2-8(4-9)5-10(12)6-13-7-10/h1-4,12H,5-7H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]thietan-3-ol?
3-[(3-chlorophenyl)methyl]thietan-3-ol has a molecular weight of 214.72 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]thietan-3-ol is sourced from PubChem (CID 83689574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).