(2R)-1-phenoxybut-3-yn-2-ol

C10H10O2 — CID 11094952

IUPAC(2R)-1-phenoxybut-3-yn-2-ol
SMILESC#C[C@@H](O)COc1ccccc1
InChIInChI=1S/C10H10O2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h1,3-7,9,11H,8H2/t9-/m1/s1
InChIKeyNJISXYYDFZQCQC-SECBINFHSA-N
MW162.19 g/mol
LogP1.06
Rot. Bonds3

About (2R)-1-phenoxybut-3-yn-2-ol

(2R)-1-phenoxybut-3-yn-2-ol (PubChem CID 11094952) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2R)-1-phenoxybut-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxybut-3-yn-2-ol
PubChem CID11094952
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2R)-1-phenoxybut-3-yn-2-ol
SMILESC#C[C@@H](O)COc1ccccc1
InChIInChI=1S/C10H10O2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h1,3-7,9,11H,8H2/t9-/m1/s1
InChIKeyNJISXYYDFZQCQC-SECBINFHSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.06
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

2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
ethane;1-phenoxypropan-2-ol
CID 90926921
3-phenoxypropane-1,2-diol
CID 10857
1-(4-phenoxyphenyl)but-3-yn-2-ol
CID 23170409
1-[(5-phenyl-1,2,4-triazin-3-yl)oxy]but-3-yn-2-ol
CID 102322059
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
actinium;3-phenoxypropane-1,2-diol
CID 22981458
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol
CID 14026776

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxybut-3-yn-2-ol?
The IUPAC name of (2R)-1-phenoxybut-3-yn-2-ol (CID 11094952) is (2R)-1-phenoxybut-3-yn-2-ol.
What is the SMILES notation for (2R)-1-phenoxybut-3-yn-2-ol?
The canonical SMILES for (2R)-1-phenoxybut-3-yn-2-ol is C#C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-phenoxybut-3-yn-2-ol?
The InChIKey is NJISXYYDFZQCQC-SECBINFHSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h1,3-7,9,11H,8H2/t9-/m1/s1.
What are the key properties of (2R)-1-phenoxybut-3-yn-2-ol?
(2R)-1-phenoxybut-3-yn-2-ol has a molecular weight of 162.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxybut-3-yn-2-ol is sourced from PubChem (CID 11094952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).