(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol

C12H14O — CID 134955286

IUPAC(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
SMILESC=C[C@H](/C=C/c1ccccc1)CO
InChIInChI=1S/C12H14O/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h2-9,11,13H,1,10H2/b9-8+/t11-/m1/s1
InChIKeyUUMROCOWTYSGBK-ANYFNZRUSA-N
MW174.24 g/mol
LogP2.49
Rot. Bonds4

About (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol

(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol (PubChem CID 134955286) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
PubChem CID134955286
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
SMILESC=C[C@H](/C=C/c1ccccc1)CO
InChIInChI=1S/C12H14O/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h2-9,11,13H,1,10H2/b9-8+/t11-/m1/s1
InChIKeyUUMROCOWTYSGBK-ANYFNZRUSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408
2-[(E)-2-phenylethenyl]pent-4-enal
CID 12714689
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
3-phenylprop-2-ene-1,1-diol
CID 54432533
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
[(E)-4-ethenyl-6-phenylhex-5-enoxy]-triethylsilane
CID 139253708
chloroethene;2-ethenyl-4-phenylbut-3-enoic acid
CID 88778959
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
6-phenyl-4-(2-phenylethenyl)hex-5-en-1-amine
CID 139723158

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol?
The IUPAC name of (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol (CID 134955286) is (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol.
What is the SMILES notation for (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol?
The canonical SMILES for (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol is C=C[C@H](/C=C/c1ccccc1)CO.
What is the InChIKey of (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol?
The InChIKey is UUMROCOWTYSGBK-ANYFNZRUSA-N. The full InChI is InChI=1S/C12H14O/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h2-9,11,13H,1,10H2/b9-8+/t11-/m1/s1.
What are the key properties of (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol?
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol is sourced from PubChem (CID 134955286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).