(E)-1-phenylbut-2-en-2-ol

C10H12O — CID 170790149

IUPAC(E)-1-phenylbut-2-en-2-ol
SMILESC/C=C(/O)Cc1ccccc1
InChIInChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/b10-2+
InChIKeyGUAIRIPMKYROQQ-WTDSWWLTSA-N
MW148.20 g/mol
LogP2.69
Rot. Bonds2

About (E)-1-phenylbut-2-en-2-ol

(E)-1-phenylbut-2-en-2-ol (PubChem CID 170790149) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (E)-1-phenylbut-2-en-2-ol.

Molecular Properties

Compound Name(E)-1-phenylbut-2-en-2-ol
PubChem CID170790149
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(E)-1-phenylbut-2-en-2-ol
SMILESC/C=C(/O)Cc1ccccc1
InChIInChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/b10-2+
InChIKeyGUAIRIPMKYROQQ-WTDSWWLTSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
1-phenylbut-2-en-2-amine
CID 68995045
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
(E)-3-benzylpent-3-en-2-one
CID 10821122
(NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine
CID 134240579
methanol;phenylmethanol
CID 19822462
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
1-phenylpropane-2-thione
CID 19915653
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
benzene;1-phenylpropan-2-one
CID 21430852
3-benzylpent-3-enoic acid;ethane
CID 90707925
[(Z)-2-ethenylsulfanylbut-2-enyl]benzene
CID 144877923

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenylbut-2-en-2-ol?
The IUPAC name of (E)-1-phenylbut-2-en-2-ol (CID 170790149) is (E)-1-phenylbut-2-en-2-ol.
What is the SMILES notation for (E)-1-phenylbut-2-en-2-ol?
The canonical SMILES for (E)-1-phenylbut-2-en-2-ol is C/C=C(/O)Cc1ccccc1.
What is the InChIKey of (E)-1-phenylbut-2-en-2-ol?
The InChIKey is GUAIRIPMKYROQQ-WTDSWWLTSA-N. The full InChI is InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/b10-2+.
What are the key properties of (E)-1-phenylbut-2-en-2-ol?
(E)-1-phenylbut-2-en-2-ol has a molecular weight of 148.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenylbut-2-en-2-ol is sourced from PubChem (CID 170790149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).