(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol

C18H20O2 — CID 102243904

IUPAC(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol
SMILESC=CCCO[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-2-3-14-20-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h2,4-13,17-19H,1,3,14H2/t17-,18+/m1/s1
InChIKeyVHOBGCHEFJOJOY-MSOLQXFVSA-N
MW268.36 g/mol
LogP4.05
Rot. Bonds7

About (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol

(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol (PubChem CID 102243904) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol
PubChem CID102243904
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol
SMILESC=CCCO[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-2-3-14-20-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h2,4-13,17-19H,1,3,14H2/t17-,18+/m1/s1
InChIKeyVHOBGCHEFJOJOY-MSOLQXFVSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.05
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

2-ethoxy-1,2-diphenylethanol
CID 3767197
(1-but-3-enoxy-2,2,2-trifluoroethyl)benzene
CID 3560123
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
1-but-3-enoxy-N-hydroxy-1-phenylpropan-2-imine oxide
CID 177483351
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
2-ethoxy-1-phenylpent-4-en-1-ol
CID 12857067
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol
CID 15981856
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 12060228

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol?
The IUPAC name of (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol (CID 102243904) is (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol.
What is the SMILES notation for (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol?
The canonical SMILES for (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol is C=CCCO[C@@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol?
The InChIKey is VHOBGCHEFJOJOY-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-3-14-20-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h2,4-13,17-19H,1,3,14H2/t17-,18+/m1/s1.
What are the key properties of (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol?
(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol has a molecular weight of 268.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-but-3-enoxy-1,2-diphenylethanol is sourced from PubChem (CID 102243904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).