1-[2-[(E)-but-2-enoxy]phenyl]ethanol

C12H16O2 — CID 43504052

IUPAC1-[2-[(E)-but-2-enoxy]phenyl]ethanol
SMILESC/C=C/COc1ccccc1C(C)O
InChIInChI=1S/C12H16O2/c1-3-4-9-14-12-8-6-5-7-11(12)10(2)13/h3-8,10,13H,9H2,1-2H3/b4-3+
InChIKeyMXSZNTMHPVZEMA-ONEGZZNKSA-N
MW192.26 g/mol
LogP2.69
Rot. Bonds4

About 1-[2-[(E)-but-2-enoxy]phenyl]ethanol

1-[2-[(E)-but-2-enoxy]phenyl]ethanol (PubChem CID 43504052) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[2-[(E)-but-2-enoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(E)-but-2-enoxy]phenyl]ethanol
PubChem CID43504052
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[2-[(E)-but-2-enoxy]phenyl]ethanol
SMILESC/C=C/COc1ccccc1C(C)O
InChIInChI=1S/C12H16O2/c1-3-4-9-14-12-8-6-5-7-11(12)10(2)13/h3-8,10,13H,9H2,1-2H3/b4-3+
InChIKeyMXSZNTMHPVZEMA-ONEGZZNKSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-(3-chloroprop-2-enoxy)phenyl]ethanol
CID 78931441
(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
CID 78930646
(1S)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78934280
(1R)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78931205
(1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol
CID 82001259
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-but-2-enoxy]phenyl]ethanol?
The IUPAC name of 1-[2-[(E)-but-2-enoxy]phenyl]ethanol (CID 43504052) is 1-[2-[(E)-but-2-enoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(E)-but-2-enoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-[(E)-but-2-enoxy]phenyl]ethanol is C/C=C/COc1ccccc1C(C)O.
What is the InChIKey of 1-[2-[(E)-but-2-enoxy]phenyl]ethanol?
The InChIKey is MXSZNTMHPVZEMA-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-9-14-12-8-6-5-7-11(12)10(2)13/h3-8,10,13H,9H2,1-2H3/b4-3+.
What are the key properties of 1-[2-[(E)-but-2-enoxy]phenyl]ethanol?
1-[2-[(E)-but-2-enoxy]phenyl]ethanol has a molecular weight of 192.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-but-2-enoxy]phenyl]ethanol is sourced from PubChem (CID 43504052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).