2-(4-methoxyphenyl)pent-4-en-2-ol

C12H16O2 — CID 11217752

IUPAC2-(4-methoxyphenyl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1ccc(OC)cc1
InChIInChI=1S/C12H16O2/c1-4-9-12(2,13)10-5-7-11(14-3)8-6-10/h4-8,13H,1,9H2,2-3H3
InChIKeyIAHNXWMGXSPAHT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-methoxyphenyl)pent-4-en-2-ol

2-(4-methoxyphenyl)pent-4-en-2-ol (PubChem CID 11217752) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)pent-4-en-2-ol
PubChem CID11217752
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(4-methoxyphenyl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1ccc(OC)cc1
InChIInChI=1S/C12H16O2/c1-4-9-12(2,13)10-5-7-11(14-3)8-6-10/h4-8,13H,1,9H2,2-3H3
InChIKeyIAHNXWMGXSPAHT-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-methoxyphenyl)pent-4-en-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)pent-4-en-2-ol (CID 11217752) is 2-(4-methoxyphenyl)pent-4-en-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)pent-4-en-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)pent-4-en-2-ol is C=CCC(C)(O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)pent-4-en-2-ol?
The InChIKey is IAHNXWMGXSPAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-9-12(2,13)10-5-7-11(14-3)8-6-10/h4-8,13H,1,9H2,2-3H3.
What are the key properties of 2-(4-methoxyphenyl)pent-4-en-2-ol?
2-(4-methoxyphenyl)pent-4-en-2-ol has a molecular weight of 192.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)pent-4-en-2-ol is sourced from PubChem (CID 11217752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).