(3-naphthalen-1-yloxiran-2-yl)-phenylmethanone

C19H14O2 — CID 12846227

IUPAC(3-naphthalen-1-yloxiran-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1OC1c1cccc2ccccc12
InChIInChI=1S/C19H14O2/c20-17(14-8-2-1-3-9-14)19-18(21-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,18-19H
InChIKeyJCEIOPSDKPXYSH-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.16
Rot. Bonds3

About (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone

(3-naphthalen-1-yloxiran-2-yl)-phenylmethanone (PubChem CID 12846227) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-naphthalen-1-yloxiran-2-yl)-phenylmethanone
PubChem CID12846227
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name(3-naphthalen-1-yloxiran-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1OC1c1cccc2ccccc12
InChIInChI=1S/C19H14O2/c20-17(14-8-2-1-3-9-14)19-18(21-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,18-19H
InChIKeyJCEIOPSDKPXYSH-UHFFFAOYSA-N
XLogP4.16
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone?
The IUPAC name of (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone (CID 12846227) is (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone?
The canonical SMILES for (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone is O=C(c1ccccc1)C1OC1c1cccc2ccccc12.
What is the InChIKey of (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone?
The InChIKey is JCEIOPSDKPXYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c20-17(14-8-2-1-3-9-14)19-18(21-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,18-19H.
What are the key properties of (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone?
(3-naphthalen-1-yloxiran-2-yl)-phenylmethanone has a molecular weight of 274.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-naphthalen-1-yloxiran-2-yl)-phenylmethanone is sourced from PubChem (CID 12846227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).