(E,1R)-1,2-diphenylbut-2-en-1-ol

C16H16O — CID 135000774

IUPAC(E,1R)-1,2-diphenylbut-2-en-1-ol
SMILESC/C=C(\c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16O/c1-2-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h2-12,16-17H,1H3/b15-2+/t16-/m1/s1
InChIKeyHQVPVEQOTZQGFW-ARHWQEIASA-N
MW224.30 g/mol
LogP3.82
Rot. Bonds3

About (E,1R)-1,2-diphenylbut-2-en-1-ol

(E,1R)-1,2-diphenylbut-2-en-1-ol (PubChem CID 135000774) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (E,1R)-1,2-diphenylbut-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1,2-diphenylbut-2-en-1-ol
PubChem CID135000774
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(E,1R)-1,2-diphenylbut-2-en-1-ol
SMILESC/C=C(\c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16O/c1-2-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h2-12,16-17H,1H3/b15-2+/t16-/m1/s1
InChIKeyHQVPVEQOTZQGFW-ARHWQEIASA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1-(2-fluorophenyl)-2-phenylbut-2-en-1-ol
CID 70418006
4-(diethylamino)-1,2-diphenylbut-2-en-1-ol
CID 54410683
4-[(Z)-1,2-diphenylbut-2-enyl]phenol
CID 70549911
4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol
CID 54014137
2-hydroxy-1,2-diphenylethanone
CID 159399559
1,2-diphenylprop-2-en-1-ol
CID 11586526
[(E)-4-methylhex-2-en-3-yl]benzene
CID 12531537
1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione
CID 102162472
acetaldehyde;2-hydroxy-1,2-diphenylethanone;(2S)-2-hydroxy-1,2-diphenylethanone;(2R)-2-hydroxy-1-phenylpropan-1-one;methane
CID 159381131
ethane;[(E)-4-methylhex-2-en-3-yl]benzene
CID 167452677
(Z)-2-[hydroxy(phenyl)methyl]but-2-enenitrile
CID 70467893
(1R,2Z)-2-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanol
CID 7340294

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1,2-diphenylbut-2-en-1-ol?
The IUPAC name of (E,1R)-1,2-diphenylbut-2-en-1-ol (CID 135000774) is (E,1R)-1,2-diphenylbut-2-en-1-ol.
What is the SMILES notation for (E,1R)-1,2-diphenylbut-2-en-1-ol?
The canonical SMILES for (E,1R)-1,2-diphenylbut-2-en-1-ol is C/C=C(\c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (E,1R)-1,2-diphenylbut-2-en-1-ol?
The InChIKey is HQVPVEQOTZQGFW-ARHWQEIASA-N. The full InChI is InChI=1S/C16H16O/c1-2-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h2-12,16-17H,1H3/b15-2+/t16-/m1/s1.
What are the key properties of (E,1R)-1,2-diphenylbut-2-en-1-ol?
(E,1R)-1,2-diphenylbut-2-en-1-ol has a molecular weight of 224.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1,2-diphenylbut-2-en-1-ol is sourced from PubChem (CID 135000774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).