2-(phenoxymethyl)pent-4-en-1-ol

C12H16O2 — CID 15525340

IUPAC2-(phenoxymethyl)pent-4-en-1-ol
SMILESC=CCC(CO)COc1ccccc1
InChIInChI=1S/C12H16O2/c1-2-6-11(9-13)10-14-12-7-4-3-5-8-12/h2-5,7-8,11,13H,1,6,9-10H2
InChIKeyOKIARQZCAXVMOP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.25
Rot. Bonds6

About 2-(phenoxymethyl)pent-4-en-1-ol

2-(phenoxymethyl)pent-4-en-1-ol (PubChem CID 15525340) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(phenoxymethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name2-(phenoxymethyl)pent-4-en-1-ol
PubChem CID15525340
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(phenoxymethyl)pent-4-en-1-ol
SMILESC=CCC(CO)COc1ccccc1
InChIInChI=1S/C12H16O2/c1-2-6-11(9-13)10-14-12-7-4-3-5-8-12/h2-5,7-8,11,13H,1,6,9-10H2
InChIKeyOKIARQZCAXVMOP-UHFFFAOYSA-N
XLogP2.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(phenoxymethyl)pent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 174846151
CID 174846151
(2S)-1-phenoxybut-3-en-2-ol
CID 137281228
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
CID 25267224
CID 25267224
actinium;3-phenoxypropane-1,2-diol
CID 22981458
2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
CID 67700058
(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
CID 45033911
benzyl (3R)-3-(hydroxymethyl)hex-5-enoate
CID 58474144
phosphoric acid;prop-2-enoxybenzene
CID 66665136
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)pent-4-en-1-ol?
The IUPAC name of 2-(phenoxymethyl)pent-4-en-1-ol (CID 15525340) is 2-(phenoxymethyl)pent-4-en-1-ol.
What is the SMILES notation for 2-(phenoxymethyl)pent-4-en-1-ol?
The canonical SMILES for 2-(phenoxymethyl)pent-4-en-1-ol is C=CCC(CO)COc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)pent-4-en-1-ol?
The InChIKey is OKIARQZCAXVMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-6-11(9-13)10-14-12-7-4-3-5-8-12/h2-5,7-8,11,13H,1,6,9-10H2.
What are the key properties of 2-(phenoxymethyl)pent-4-en-1-ol?
2-(phenoxymethyl)pent-4-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)pent-4-en-1-ol is sourced from PubChem (CID 15525340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).