(E)-2-methyl-4-phenylbut-3-en-2-ol

C11H14O — CID 6282889

IUPAC(E)-2-methyl-4-phenylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/c1ccccc1
InChIInChI=1S/C11H14O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+
InChIKeyAHTMRLFEKXDXJS-CMDGGOBGSA-N
MW162.23 g/mol
LogP2.47
Rot. Bonds2

About (E)-2-methyl-4-phenylbut-3-en-2-ol

(E)-2-methyl-4-phenylbut-3-en-2-ol (PubChem CID 6282889) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (E)-2-methyl-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-phenylbut-3-en-2-ol
PubChem CID6282889
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(E)-2-methyl-4-phenylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/c1ccccc1
InChIInChI=1S/C11H14O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+
InChIKeyAHTMRLFEKXDXJS-CMDGGOBGSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-phenylbut-3-en-2-ol (CID 6282889) is (E)-2-methyl-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-phenylbut-3-en-2-ol is CC(C)(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-methyl-4-phenylbut-3-en-2-ol?
The InChIKey is AHTMRLFEKXDXJS-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H14O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+.
What are the key properties of (E)-2-methyl-4-phenylbut-3-en-2-ol?
(E)-2-methyl-4-phenylbut-3-en-2-ol has a molecular weight of 162.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 6282889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).