(2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone

C15H12O3 — CID 578625

IUPAC(2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone
SMILESO=C(c1ccccc1O)C1OC1c1ccccc1
InChIInChI=1S/C15H12O3/c16-12-9-5-4-8-11(12)13(17)15-14(18-15)10-6-2-1-3-7-10/h1-9,14-16H
InChIKeyWTHRQTPREPZROJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.71
Rot. Bonds3

About (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone

(2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone (PubChem CID 578625) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone
PubChem CID578625
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone
SMILESO=C(c1ccccc1O)C1OC1c1ccccc1
InChIInChI=1S/C15H12O3/c16-12-9-5-4-8-11(12)13(17)15-14(18-15)10-6-2-1-3-7-10/h1-9,14-16H
InChIKeyWTHRQTPREPZROJ-UHFFFAOYSA-N
XLogP2.71
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.71
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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Related Compounds

(2-methylphenyl)-[(2S,3S)-3-phenyloxiran-2-yl]methanone
CID 94036635
(2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
CID 11139205
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
(3-phenyloxiran-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138963219
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
CID 131880928
CID 131880928
potassium 3-phenyloxirane-2-carboxylic acid
CID 54603648
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 11426116
3-[(2S,3R)-3-phenyloxirane-2-carbonyl]chromen-2-one
CID 11231641
(2R,3S)-3-phenyloxirane-2-carboxamide
CID 10931765
(2S,3S)-3-phenyloxirane-2-carbonyl chloride
CID 45081515

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone (CID 578625) is (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone is O=C(c1ccccc1O)C1OC1c1ccccc1.
What is the InChIKey of (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone?
The InChIKey is WTHRQTPREPZROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-12-9-5-4-8-11(12)13(17)15-14(18-15)10-6-2-1-3-7-10/h1-9,14-16H.
What are the key properties of (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone?
(2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone has a molecular weight of 240.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone is sourced from PubChem (CID 578625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).