[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene

C12H14O2 — CID 124584766

IUPAC[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
SMILESC#C[C@](C)(OCOC)c1ccccc1
InChIInChI=1S/C12H14O2/c1-4-12(2,14-10-13-3)11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3/t12-/m0/s1
InChIKeyBDRROWJJIIAKCM-LBPRGKRZSA-N
MW190.24 g/mol
LogP2.16
Rot. Bonds4

About [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene

[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene (PubChem CID 124584766) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene.

Molecular Properties

Compound Name[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
PubChem CID124584766
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
SMILESC#C[C@](C)(OCOC)c1ccccc1
InChIInChI=1S/C12H14O2/c1-4-12(2,14-10-13-3)11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3/t12-/m0/s1
InChIKeyBDRROWJJIIAKCM-LBPRGKRZSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
CID 97289363
2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene
CID 122215800
tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
CID 24898876
2-phenyl-2-phenylmethoxypropanenitrile
CID 162364617
[4-deuterio-2-(3-deuterioprop-2-enoxy)but-3-yn-2-yl]benzene
CID 101384461
[(3S)-3-methylpent-1-yn-3-yl]benzene
CID 11708103
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
(4,4-dimethyl-3-phenylpent-1-yn-3-yl)oxy-dimethylsilane
CID 173396171
[(3S)-3,5-dimethylhex-1-yn-3-yl]benzene
CID 134861944
2-prop-2-enoxypent-3-yn-2-ylbenzene
CID 11321595
dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane
CID 141450490
2-[(E)-7-(methoxymethoxy)-7,7-diphenylhept-3-en-1,5-diyn-4-yl]benzoic acid
CID 10764698

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene?
The IUPAC name of [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene (CID 124584766) is [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene.
What is the SMILES notation for [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene?
The canonical SMILES for [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene is C#C[C@](C)(OCOC)c1ccccc1.
What is the InChIKey of [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene?
The InChIKey is BDRROWJJIIAKCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-12(2,14-10-13-3)11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3/t12-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene?
[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene has a molecular weight of 190.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene is sourced from PubChem (CID 124584766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).