1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol

C14H19NO — CID 90294788

IUPAC1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol
SMILESCCC(O)CCc1ccc(C2(C)C=N2)cc1
InChIInChI=1S/C14H19NO/c1-3-13(16)9-6-11-4-7-12(8-5-11)14(2)10-15-14/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3
InChIKeyMTMMXVNIAMUEBJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.69
Rot. Bonds5

About 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol

1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol (PubChem CID 90294788) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol.

Molecular Properties

Compound Name1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol
PubChem CID90294788
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol
SMILESCCC(O)CCc1ccc(C2(C)C=N2)cc1
InChIInChI=1S/C14H19NO/c1-3-13(16)9-6-11-4-7-12(8-5-11)14(2)10-15-14/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3
InChIKeyMTMMXVNIAMUEBJ-UHFFFAOYSA-N
XLogP2.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol?
The IUPAC name of 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol (CID 90294788) is 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol.
What is the SMILES notation for 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol?
The canonical SMILES for 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol is CCC(O)CCc1ccc(C2(C)C=N2)cc1.
What is the InChIKey of 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol?
The InChIKey is MTMMXVNIAMUEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-13(16)9-6-11-4-7-12(8-5-11)14(2)10-15-14/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3.
What are the key properties of 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol?
1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol has a molecular weight of 217.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylazirin-2-yl)phenyl]pentan-3-ol is sourced from PubChem (CID 90294788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).