(2-hydroxyphenyl)-(oxiran-2-yl)methanone

C9H8O3 — CID 10820908

IUPAC(2-hydroxyphenyl)-(oxiran-2-yl)methanone
SMILESO=C(c1ccccc1O)C1CO1
InChIInChI=1S/C9H8O3/c10-7-4-2-1-3-6(7)9(11)8-5-12-8/h1-4,8,10H,5H2
InChIKeyRREUQSFKKXOURC-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.97
Rot. Bonds2

About (2-hydroxyphenyl)-(oxiran-2-yl)methanone

(2-hydroxyphenyl)-(oxiran-2-yl)methanone (PubChem CID 10820908) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(oxiran-2-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(oxiran-2-yl)methanone
PubChem CID10820908
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(2-hydroxyphenyl)-(oxiran-2-yl)methanone
SMILESO=C(c1ccccc1O)C1CO1
InChIInChI=1S/C9H8O3/c10-7-4-2-1-3-6(7)9(11)8-5-12-8/h1-4,8,10H,5H2
InChIKeyRREUQSFKKXOURC-UHFFFAOYSA-N
XLogP0.97
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(oxiran-2-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(oxiran-2-yl)methanone (CID 10820908) is (2-hydroxyphenyl)-(oxiran-2-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(oxiran-2-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(oxiran-2-yl)methanone is O=C(c1ccccc1O)C1CO1.
What is the InChIKey of (2-hydroxyphenyl)-(oxiran-2-yl)methanone?
The InChIKey is RREUQSFKKXOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-7-4-2-1-3-6(7)9(11)8-5-12-8/h1-4,8,10H,5H2.
What are the key properties of (2-hydroxyphenyl)-(oxiran-2-yl)methanone?
(2-hydroxyphenyl)-(oxiran-2-yl)methanone has a molecular weight of 164.16 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(oxiran-2-yl)methanone is sourced from PubChem (CID 10820908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).