2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol

C17H17ClO2S — CID 54259316

IUPAC2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
SMILESOC1CCCC1Oc1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO2S/c18-12-4-8-14(9-5-12)21-15-10-6-13(7-11-15)20-17-3-1-2-16(17)19/h4-11,16-17,19H,1-3H2
InChIKeyRCIVAGOMIZEMNC-UHFFFAOYSA-N
MW320.84 g/mol
LogP4.78
Rot. Bonds4

About 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol

2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol (PubChem CID 54259316) has the molecular formula C17H17ClO2S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
PubChem CID54259316
Molecular FormulaC17H17ClO2S
Molecular Weight320.84 g/mol
Exact Mass320.06
IUPAC Name2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
SMILESOC1CCCC1Oc1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO2S/c18-12-4-8-14(9-5-12)21-15-10-6-13(7-11-15)20-17-3-1-2-16(17)19/h4-11,16-17,19H,1-3H2
InChIKeyRCIVAGOMIZEMNC-UHFFFAOYSA-N
XLogP4.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol (CID 54259316) is 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol is OC1CCCC1Oc1ccc(Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol?
The InChIKey is RCIVAGOMIZEMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2S/c18-12-4-8-14(9-5-12)21-15-10-6-13(7-11-15)20-17-3-1-2-16(17)19/h4-11,16-17,19H,1-3H2.
What are the key properties of 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol?
2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol has a molecular weight of 320.84 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol is sourced from PubChem (CID 54259316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).