(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane

C14H20OS — CID 58320971

IUPAC(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane
SMILESCC[C@H]1SC[C@@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C14H20OS/c1-3-14-11(2)13(10-16-14)15-9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11-,13+,14+/m0/s1
InChIKeyIHOJUJKJVLBWCL-IACUBPJLSA-N
MW236.38 g/mol
LogP3.73
Rot. Bonds4

About (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane

(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane (PubChem CID 58320971) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane
PubChem CID58320971
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane
SMILESCC[C@H]1SC[C@@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C14H20OS/c1-3-14-11(2)13(10-16-14)15-9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11-,13+,14+/m0/s1
InChIKeyIHOJUJKJVLBWCL-IACUBPJLSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane
CID 71010582
(2R,3R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane
CID 59911483
(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane
CID 161051476
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine
CID 58732890
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
(5S)-4,5-dimethyl-3-phenylmethoxythian-2-one
CID 134972013
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane?
The IUPAC name of (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane (CID 58320971) is (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane.
What is the SMILES notation for (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane?
The canonical SMILES for (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane is CC[C@H]1SC[C@@H](OCc2ccccc2)[C@@H]1C.
What is the InChIKey of (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane?
The InChIKey is IHOJUJKJVLBWCL-IACUBPJLSA-N. The full InChI is InChI=1S/C14H20OS/c1-3-14-11(2)13(10-16-14)15-9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11-,13+,14+/m0/s1.
What are the key properties of (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane?
(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane has a molecular weight of 236.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane is sourced from PubChem (CID 58320971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).