(2R)-2-(4-phenylbutoxy)thiolane

C14H20OS — CID 155931432

IUPAC(2R)-2-(4-phenylbutoxy)thiolane
SMILESc1ccc(CCCCO[C@H]2CCCS2)cc1
InChIInChI=1S/C14H20OS/c1-2-7-13(8-3-1)9-4-5-11-15-14-10-6-12-16-14/h1-3,7-8,14H,4-6,9-12H2/t14-/m1/s1
InChIKeySARFCQYPLKHHRO-CQSZACIVSA-N
MW236.38 g/mol
LogP3.88
Rot. Bonds6

About (2R)-2-(4-phenylbutoxy)thiolane

(2R)-2-(4-phenylbutoxy)thiolane (PubChem CID 155931432) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is (2R)-2-(4-phenylbutoxy)thiolane.

Molecular Properties

Compound Name(2R)-2-(4-phenylbutoxy)thiolane
PubChem CID155931432
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name(2R)-2-(4-phenylbutoxy)thiolane
SMILESc1ccc(CCCCO[C@H]2CCCS2)cc1
InChIInChI=1S/C14H20OS/c1-2-7-13(8-3-1)9-4-5-11-15-14-10-6-12-16-14/h1-3,7-8,14H,4-6,9-12H2/t14-/m1/s1
InChIKeySARFCQYPLKHHRO-CQSZACIVSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(8-phenyloctoxy)octylbenzene
CID 56628536
4-phenylbutylbenzene
CID 141301927
ethane;3-(2-methylcyclopentyl)oxypropylbenzene
CID 145106111
4-phenylbutyl hypochlorite
CID 165357420
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
6-ethoxyhexylbenzene
CID 54300935
2-cyclobutyloxyethylbenzene
CID 54003575
4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine
CID 114333026
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
CID 114989996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-phenylbutoxy)thiolane?
The IUPAC name of (2R)-2-(4-phenylbutoxy)thiolane (CID 155931432) is (2R)-2-(4-phenylbutoxy)thiolane.
What is the SMILES notation for (2R)-2-(4-phenylbutoxy)thiolane?
The canonical SMILES for (2R)-2-(4-phenylbutoxy)thiolane is c1ccc(CCCCO[C@H]2CCCS2)cc1.
What is the InChIKey of (2R)-2-(4-phenylbutoxy)thiolane?
The InChIKey is SARFCQYPLKHHRO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20OS/c1-2-7-13(8-3-1)9-4-5-11-15-14-10-6-12-16-14/h1-3,7-8,14H,4-6,9-12H2/t14-/m1/s1.
What are the key properties of (2R)-2-(4-phenylbutoxy)thiolane?
(2R)-2-(4-phenylbutoxy)thiolane has a molecular weight of 236.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-phenylbutoxy)thiolane is sourced from PubChem (CID 155931432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).