(2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol

C12H13IO2 — CID 10710485

IUPAC(2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol
SMILESCOC[C@](O)(C#Cc1ccccc1)CI
InChIInChI=1S/C12H13IO2/c1-15-10-12(14,9-13)8-7-11-5-3-2-4-6-11/h2-6,14H,9-10H2,1H3/t12-/m0/s1
InChIKeyWYDWVLLUAONQRH-LBPRGKRZSA-N
MW316.14 g/mol
LogP1.85
Rot. Bonds3

About (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol

(2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol (PubChem CID 10710485) has the molecular formula C12H13IO2 and a molecular weight of 316.14 g/mol. Its IUPAC name is (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol
PubChem CID10710485
Molecular FormulaC12H13IO2
Molecular Weight316.14 g/mol
Exact Mass316.00
IUPAC Name(2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol
SMILESCOC[C@](O)(C#Cc1ccccc1)CI
InChIInChI=1S/C12H13IO2/c1-15-10-12(14,9-13)8-7-11-5-3-2-4-6-11/h2-6,14H,9-10H2,1H3/t12-/m0/s1
InChIKeyWYDWVLLUAONQRH-LBPRGKRZSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399
1-methoxy-4-(methoxymethyl)-2-methyl-6-(3-methylphenyl)hex-5-yne-2,4-diol
CID 167219180
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443
3,3-dimethoxybut-1-ynylbenzene
CID 14492597
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
ethane;1-methoxy-2-methyl-4-(3-methylphenyl)but-3-yn-2-ol
CID 156800255
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
4,4-bis(methoxymethyl)octa-1,6-diynylbenzene
CID 11369250
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol
CID 67785197

Frequently Asked Questions

What is the IUPAC name of (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol?
The IUPAC name of (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol (CID 10710485) is (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol.
What is the SMILES notation for (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol?
The canonical SMILES for (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol is COC[C@](O)(C#Cc1ccccc1)CI.
What is the InChIKey of (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol?
The InChIKey is WYDWVLLUAONQRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13IO2/c1-15-10-12(14,9-13)8-7-11-5-3-2-4-6-11/h2-6,14H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol?
(2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol has a molecular weight of 316.14 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol is sourced from PubChem (CID 10710485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).