1-(3-phenyloxiran-2-yl)pentan-1-ol

C13H18O2 — CID 12642701

IUPAC1-(3-phenyloxiran-2-yl)pentan-1-ol
SMILESCCCCC(O)C1OC1c1ccccc1
InChIInChI=1S/C13H18O2/c1-2-3-9-11(14)13-12(15-13)10-7-5-4-6-8-10/h4-8,11-14H,2-3,9H2,1H3
InChIKeyYBSWBEJSAKMOGM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-phenyloxiran-2-yl)pentan-1-ol

1-(3-phenyloxiran-2-yl)pentan-1-ol (PubChem CID 12642701) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-phenyloxiran-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(3-phenyloxiran-2-yl)pentan-1-ol
PubChem CID12642701
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-(3-phenyloxiran-2-yl)pentan-1-ol
SMILESCCCCC(O)C1OC1c1ccccc1
InChIInChI=1S/C13H18O2/c1-2-3-9-11(14)13-12(15-13)10-7-5-4-6-8-10/h4-8,11-14H,2-3,9H2,1H3
InChIKeyYBSWBEJSAKMOGM-UHFFFAOYSA-N
XLogP2.68
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(3-phenyloxiran-2-yl)pentan-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

1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]pentan-1-ol
CID 122208201
(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol
CID 165413358
1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
CID 15259342
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
CID 46863006
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
(1S)-1-phenylpentan-1-ol
CID 6992754
6-(3-phenyloxiran-2-yl)heptane-2,2,5-triol
CID 139803227
(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
CID 10989251
1-[(2S,3R)-2-phenyloxetan-3-yl]butan-1-ol
CID 101140305
(1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol
CID 102307668
1-phenylheptan-3-ol
CID 10420110
(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 10631104

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyloxiran-2-yl)pentan-1-ol?
The IUPAC name of 1-(3-phenyloxiran-2-yl)pentan-1-ol (CID 12642701) is 1-(3-phenyloxiran-2-yl)pentan-1-ol.
What is the SMILES notation for 1-(3-phenyloxiran-2-yl)pentan-1-ol?
The canonical SMILES for 1-(3-phenyloxiran-2-yl)pentan-1-ol is CCCCC(O)C1OC1c1ccccc1.
What is the InChIKey of 1-(3-phenyloxiran-2-yl)pentan-1-ol?
The InChIKey is YBSWBEJSAKMOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-3-9-11(14)13-12(15-13)10-7-5-4-6-8-10/h4-8,11-14H,2-3,9H2,1H3.
What are the key properties of 1-(3-phenyloxiran-2-yl)pentan-1-ol?
1-(3-phenyloxiran-2-yl)pentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyloxiran-2-yl)pentan-1-ol is sourced from PubChem (CID 12642701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).