(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol

C13H18O — CID 13214341

IUPAC(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
SMILESC/C(=C\c1ccccc1)C(C)C(C)O
InChIInChI=1S/C13H18O/c1-10(11(2)12(3)14)9-13-7-5-4-6-8-13/h4-9,11-12,14H,1-3H3/b10-9+
InChIKeyDEURSJDJCDHPES-MDZDMXLPSA-N
MW190.29 g/mol
LogP3.11
Rot. Bonds3

About (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol

(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol (PubChem CID 13214341) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
PubChem CID13214341
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
SMILESC/C(=C\c1ccccc1)C(C)C(C)O
InChIInChI=1S/C13H18O/c1-10(11(2)12(3)14)9-13-7-5-4-6-8-13/h4-9,11-12,14H,1-3H3/b10-9+
InChIKeyDEURSJDJCDHPES-MDZDMXLPSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 125493419
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Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol?
The IUPAC name of (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol (CID 13214341) is (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol.
What is the SMILES notation for (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol?
The canonical SMILES for (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol is C/C(=C\c1ccccc1)C(C)C(C)O.
What is the InChIKey of (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol?
The InChIKey is DEURSJDJCDHPES-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H18O/c1-10(11(2)12(3)14)9-13-7-5-4-6-8-13/h4-9,11-12,14H,1-3H3/b10-9+.
What are the key properties of (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol?
(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol has a molecular weight of 190.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-5-phenylpent-4-en-2-ol is sourced from PubChem (CID 13214341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).