(2R)-6-phenylmethoxyhex-4-yn-2-ol

C13H16O2 — CID 22872725

IUPAC(2R)-6-phenylmethoxyhex-4-yn-2-ol
SMILESC[C@@H](O)CC#CCOCc1ccccc1
InChIInChI=1S/C13H16O2/c1-12(14)7-5-6-10-15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,7,10-11H2,1H3/t12-/m1/s1
InChIKeyFBMOMUCQUGPTLB-GFCCVEGCSA-N
MW204.27 g/mol
LogP1.98
Rot. Bonds4

About (2R)-6-phenylmethoxyhex-4-yn-2-ol

(2R)-6-phenylmethoxyhex-4-yn-2-ol (PubChem CID 22872725) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-6-phenylmethoxyhex-4-yn-2-ol.

Molecular Properties

Compound Name(2R)-6-phenylmethoxyhex-4-yn-2-ol
PubChem CID22872725
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2R)-6-phenylmethoxyhex-4-yn-2-ol
SMILESC[C@@H](O)CC#CCOCc1ccccc1
InChIInChI=1S/C13H16O2/c1-12(14)7-5-6-10-15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,7,10-11H2,1H3/t12-/m1/s1
InChIKeyFBMOMUCQUGPTLB-GFCCVEGCSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-phenylmethoxyhex-4-yn-2-ol?
The IUPAC name of (2R)-6-phenylmethoxyhex-4-yn-2-ol (CID 22872725) is (2R)-6-phenylmethoxyhex-4-yn-2-ol.
What is the SMILES notation for (2R)-6-phenylmethoxyhex-4-yn-2-ol?
The canonical SMILES for (2R)-6-phenylmethoxyhex-4-yn-2-ol is C[C@@H](O)CC#CCOCc1ccccc1.
What is the InChIKey of (2R)-6-phenylmethoxyhex-4-yn-2-ol?
The InChIKey is FBMOMUCQUGPTLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16O2/c1-12(14)7-5-6-10-15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,7,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-6-phenylmethoxyhex-4-yn-2-ol?
(2R)-6-phenylmethoxyhex-4-yn-2-ol has a molecular weight of 204.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-phenylmethoxyhex-4-yn-2-ol is sourced from PubChem (CID 22872725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).