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

C16H24O2 — CID 10586659

IUPAC(E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol
SMILESCCCC/C=C/[C@H](OCC)[C@H](O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-3-5-6-10-13-15(18-4-2)16(17)14-11-8-7-9-12-14/h7-13,15-17H,3-6H2,1-2H3/b13-10+/t15-,16+/m0/s1
InChIKeyPTJMUQHKGXOSAL-LSALWYQZSA-N
MW248.37 g/mol
LogP3.87
Rot. Bonds8

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

(E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol (PubChem CID 10586659) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol.

Molecular Properties

Compound Name(E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol
PubChem CID10586659
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol
SMILESCCCC/C=C/[C@H](OCC)[C@H](O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-3-5-6-10-13-15(18-4-2)16(17)14-11-8-7-9-12-14/h7-13,15-17H,3-6H2,1-2H3/b13-10+/t15-,16+/m0/s1
InChIKeyPTJMUQHKGXOSAL-LSALWYQZSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881
(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
CID 102092831
(E)-1-phenyloct-2-en-1-ol
CID 10822082
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
(Z,2R)-2-phenyloct-3-en-1-ol
CID 11106477
octadec-3-en-2-ylbenzene
CID 140717946
dodec-3-en-2-ylbenzene
CID 140717956
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
2-ethoxy-1,2-diphenylethanol
CID 3767197
benzhydryl (E)-2-methyloct-3-enoate
CID 70209962
(E,2R,3R)-2-phenylmethoxyoctadec-4-ene-1,3-diol
CID 11047429
(E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol
CID 16725114

Frequently Asked Questions

What is the IUPAC name of (E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol?
The IUPAC name of (E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol (CID 10586659) is (E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol.
What is the SMILES notation for (E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol?
The canonical SMILES for (E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol is CCCC/C=C/[C@H](OCC)[C@H](O)c1ccccc1.
What is the InChIKey of (E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol?
The InChIKey is PTJMUQHKGXOSAL-LSALWYQZSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-6-10-13-15(18-4-2)16(17)14-11-8-7-9-12-14/h7-13,15-17H,3-6H2,1-2H3/b13-10+/t15-,16+/m0/s1.
What are the key properties of (E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol?
(E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.87, 8 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-phenyloct-3-en-1-ol is sourced from PubChem (CID 10586659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).