(E)-1-(4-methylphenyl)but-2-en-1-ol

C11H14O — CID 10866652

IUPAC(E)-1-(4-methylphenyl)but-2-en-1-ol
SMILESC/C=C/C(O)c1ccc(C)cc1
InChIInChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h3-8,11-12H,1-2H3/b4-3+
InChIKeyAJYJVEBSQXHHIC-ONEGZZNKSA-N
MW162.23 g/mol
LogP2.60
Rot. Bonds2

About (E)-1-(4-methylphenyl)but-2-en-1-ol

(E)-1-(4-methylphenyl)but-2-en-1-ol (PubChem CID 10866652) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (E)-1-(4-methylphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-methylphenyl)but-2-en-1-ol
PubChem CID10866652
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(E)-1-(4-methylphenyl)but-2-en-1-ol
SMILESC/C=C/C(O)c1ccc(C)cc1
InChIInChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h3-8,11-12H,1-2H3/b4-3+
InChIKeyAJYJVEBSQXHHIC-ONEGZZNKSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylphenyl)but-2-en-1-ol?
The IUPAC name of (E)-1-(4-methylphenyl)but-2-en-1-ol (CID 10866652) is (E)-1-(4-methylphenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-1-(4-methylphenyl)but-2-en-1-ol?
The canonical SMILES for (E)-1-(4-methylphenyl)but-2-en-1-ol is C/C=C/C(O)c1ccc(C)cc1.
What is the InChIKey of (E)-1-(4-methylphenyl)but-2-en-1-ol?
The InChIKey is AJYJVEBSQXHHIC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h3-8,11-12H,1-2H3/b4-3+.
What are the key properties of (E)-1-(4-methylphenyl)but-2-en-1-ol?
(E)-1-(4-methylphenyl)but-2-en-1-ol has a molecular weight of 162.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylphenyl)but-2-en-1-ol is sourced from PubChem (CID 10866652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).