(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol

C13H18O2 — CID 102092831

IUPAC(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
SMILESC/C=C/[C@H](OCC)[C@H](O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-8-12(15-4-2)13(14)11-9-6-5-7-10-11/h3,5-10,12-14H,4H2,1-2H3/b8-3+/t12-,13+/m0/s1
InChIKeyNUZWZFRENLAPTB-RUDQLMKASA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds5

About (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol

(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol (PubChem CID 102092831) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol.

Molecular Properties

Compound Name(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
PubChem CID102092831
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
SMILESC/C=C/[C@H](OCC)[C@H](O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-8-12(15-4-2)13(14)11-9-6-5-7-10-11/h3,5-10,12-14H,4H2,1-2H3/b8-3+/t12-,13+/m0/s1
InChIKeyNUZWZFRENLAPTB-RUDQLMKASA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.70
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

(E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol
CID 10586659
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
2-ethoxy-1,2-diphenylethanol
CID 3767197
1-phenylpent-3-ene-1,2-diol
CID 72819461
2-ethoxy-1-phenylpent-4-en-1-ol
CID 12857067
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
diethyl 2-phenyl-3-[(E)-prop-1-enyl]butanedioate
CID 14241585
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol?
The IUPAC name of (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol (CID 102092831) is (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol.
What is the SMILES notation for (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol?
The canonical SMILES for (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol is C/C=C/[C@H](OCC)[C@H](O)c1ccccc1.
What is the InChIKey of (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol?
The InChIKey is NUZWZFRENLAPTB-RUDQLMKASA-N. The full InChI is InChI=1S/C13H18O2/c1-3-8-12(15-4-2)13(14)11-9-6-5-7-10-11/h3,5-10,12-14H,4H2,1-2H3/b8-3+/t12-,13+/m0/s1.
What are the key properties of (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol?
(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol is sourced from PubChem (CID 102092831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).