(2S)-1-phenoxybut-3-en-2-ol

C10H12O2 — CID 137281228

IUPAC(2S)-1-phenoxybut-3-en-2-ol
SMILESC=C[C@H](O)COc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-/m0/s1
InChIKeyDTLVHONBDQXWCY-VIFPVBQESA-N
MW164.20 g/mol
LogP1.61
Rot. Bonds4

About (2S)-1-phenoxybut-3-en-2-ol

(2S)-1-phenoxybut-3-en-2-ol (PubChem CID 137281228) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S)-1-phenoxybut-3-en-2-ol.

Molecular Properties

Compound Name(2S)-1-phenoxybut-3-en-2-ol
PubChem CID137281228
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2S)-1-phenoxybut-3-en-2-ol
SMILESC=C[C@H](O)COc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-/m0/s1
InChIKeyDTLVHONBDQXWCY-VIFPVBQESA-N
XLogP1.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol
CID 14026776
4-amino-1-phenoxyhex-5-en-2-ol
CID 70488948
1-ethenylperoxy-3-phenoxypropan-2-ol
CID 135270100
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
(1-hydroxy-2-phenoxyethyl) prop-2-enoate
CID 66615997
ethane;1-phenoxypropan-2-ol
CID 90926921
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
2-(phenoxymethyl)pent-4-en-1-ol
CID 15525340
(11E,13R)-13-hydroxy-14-phenoxytetradeca-1,11-dien-3-one
CID 167222940

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenoxybut-3-en-2-ol?
The IUPAC name of (2S)-1-phenoxybut-3-en-2-ol (CID 137281228) is (2S)-1-phenoxybut-3-en-2-ol.
What is the SMILES notation for (2S)-1-phenoxybut-3-en-2-ol?
The canonical SMILES for (2S)-1-phenoxybut-3-en-2-ol is C=C[C@H](O)COc1ccccc1.
What is the InChIKey of (2S)-1-phenoxybut-3-en-2-ol?
The InChIKey is DTLVHONBDQXWCY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12O2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-/m0/s1.
What are the key properties of (2S)-1-phenoxybut-3-en-2-ol?
(2S)-1-phenoxybut-3-en-2-ol has a molecular weight of 164.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenoxybut-3-en-2-ol is sourced from PubChem (CID 137281228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).