(E)-3-methoxy-4-phenylpent-3-en-1-ol

C12H16O2 — CID 15270420

IUPAC(E)-3-methoxy-4-phenylpent-3-en-1-ol
SMILESCO/C(CCO)=C(\C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-10(12(14-2)8-9-13)11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3/b12-10+
InChIKeyPILHULWVAVBNSF-ZRDIBKRKSA-N
MW192.26 g/mol
LogP2.45
Rot. Bonds4

About (E)-3-methoxy-4-phenylpent-3-en-1-ol

(E)-3-methoxy-4-phenylpent-3-en-1-ol (PubChem CID 15270420) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E)-3-methoxy-4-phenylpent-3-en-1-ol.

Molecular Properties

Compound Name(E)-3-methoxy-4-phenylpent-3-en-1-ol
PubChem CID15270420
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E)-3-methoxy-4-phenylpent-3-en-1-ol
SMILESCO/C(CCO)=C(\C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-10(12(14-2)8-9-13)11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3/b12-10+
InChIKeyPILHULWVAVBNSF-ZRDIBKRKSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-4-phenylpent-3-en-1-ol?
The IUPAC name of (E)-3-methoxy-4-phenylpent-3-en-1-ol (CID 15270420) is (E)-3-methoxy-4-phenylpent-3-en-1-ol.
What is the SMILES notation for (E)-3-methoxy-4-phenylpent-3-en-1-ol?
The canonical SMILES for (E)-3-methoxy-4-phenylpent-3-en-1-ol is CO/C(CCO)=C(\C)c1ccccc1.
What is the InChIKey of (E)-3-methoxy-4-phenylpent-3-en-1-ol?
The InChIKey is PILHULWVAVBNSF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(12(14-2)8-9-13)11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3/b12-10+.
What are the key properties of (E)-3-methoxy-4-phenylpent-3-en-1-ol?
(E)-3-methoxy-4-phenylpent-3-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-4-phenylpent-3-en-1-ol is sourced from PubChem (CID 15270420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).