(2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol

C15H22O2S — CID 138613353

IUPAC(2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol
SMILESC[C@H](CO)OCc1ccc(C#CS(C)(C)C)cc1
InChIInChI=1S/C15H22O2S/c1-13(11-16)17-12-15-7-5-14(6-8-15)9-10-18(2,3)4/h5-8,13,16H,11-12H2,1-4H3/t13-/m1/s1
InChIKeyCKHHXJPKLRANHV-CYBMUJFWSA-N
MW266.41 g/mol
LogP2.59
Rot. Bonds4

About (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol

(2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol (PubChem CID 138613353) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol
PubChem CID138613353
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol
SMILESC[C@H](CO)OCc1ccc(C#CS(C)(C)C)cc1
InChIInChI=1S/C15H22O2S/c1-13(11-16)17-12-15-7-5-14(6-8-15)9-10-18(2,3)4/h5-8,13,16H,11-12H2,1-4H3/t13-/m1/s1
InChIKeyCKHHXJPKLRANHV-CYBMUJFWSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(1S)-1-[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]ethane-1,2-diol
CID 155153377
2-[(4-ethenylphenyl)methoxy]propan-1-ol
CID 21035602
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
4-(propan-2-yloxymethyl)benzonitrile
CID 15647231
1-[[4-(hydroxymethyl)phenyl]methoxy]ethanol
CID 58225169
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
2-[(4-ethynylphenyl)methoxy]propane-1,3-diol;2-[(4-iodophenyl)methoxy]propane-1,3-diol;2-[[4-(2-trimethylsilylethynyl)phenyl]methoxy]propane-1,3-diol
CID 158993539
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
3-[4-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448621
3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60799873
4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol
CID 164929839

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol?
The IUPAC name of (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol (CID 138613353) is (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol.
What is the SMILES notation for (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol?
The canonical SMILES for (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol is C[C@H](CO)OCc1ccc(C#CS(C)(C)C)cc1.
What is the InChIKey of (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol?
The InChIKey is CKHHXJPKLRANHV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22O2S/c1-13(11-16)17-12-15-7-5-14(6-8-15)9-10-18(2,3)4/h5-8,13,16H,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol?
(2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol has a molecular weight of 266.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]methoxy]propan-1-ol is sourced from PubChem (CID 138613353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).