2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol

C16H16O2 — CID 102148405

IUPAC2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol
SMILESC=C[C@@H](c1ccccc1O)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16O2/c1-2-13(14-10-6-7-11-15(14)17)16(18)12-8-4-3-5-9-12/h2-11,13,16-18H,1H2/t13-,16+/m0/s1
InChIKeyLALYIGWGBPCZBJ-XJKSGUPXSA-N
MW240.30 g/mol
LogP3.40
Rot. Bonds4

About 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol

2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol (PubChem CID 102148405) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol.

Molecular Properties

Compound Name2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol
PubChem CID102148405
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol
SMILESC=C[C@@H](c1ccccc1O)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16O2/c1-2-13(14-10-6-7-11-15(14)17)16(18)12-8-4-3-5-9-12/h2-11,13,16-18H,1H2/t13-,16+/m0/s1
InChIKeyLALYIGWGBPCZBJ-XJKSGUPXSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpent-1-en-3-yl)phenol
CID 15879996
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
(1R,2S)-1-(2-nitrophenyl)-2-phenylbut-3-en-1-ol
CID 102050815
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
CID 11149486
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
1,2-diphenylethane-1,2-diol
CID 159073808
benzene;1-phenylprop-2-en-1-ol
CID 174884403
2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol
CID 68829740
2-(1-fluoroprop-2-enyl)phenol
CID 69237560
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol?
The IUPAC name of 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol (CID 102148405) is 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol.
What is the SMILES notation for 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol?
The canonical SMILES for 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol is C=C[C@@H](c1ccccc1O)[C@H](O)c1ccccc1.
What is the InChIKey of 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol?
The InChIKey is LALYIGWGBPCZBJ-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-13(14-10-6-7-11-15(14)17)16(18)12-8-4-3-5-9-12/h2-11,13,16-18H,1H2/t13-,16+/m0/s1.
What are the key properties of 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol?
2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol has a molecular weight of 240.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol is sourced from PubChem (CID 102148405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).