naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone

C19H14O2 — CID 10355976

IUPACnaphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C19H14O2/c20-17(19-18(21-19)14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18-19H/t18-,19-/m0/s1
InChIKeyPQITXCJRXVAONR-OALUTQOASA-N
MW274.32 g/mol
LogP4.16
Rot. Bonds3

About naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone

naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone (PubChem CID 10355976) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
PubChem CID10355976
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Namenaphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C19H14O2/c20-17(19-18(21-19)14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18-19H/t18-,19-/m0/s1
InChIKeyPQITXCJRXVAONR-OALUTQOASA-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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Related Compounds

[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone
CID 10766739
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
(4-bromophenyl)-(3-phenyloxiran-2-yl)methanone
CID 12665544
3-[(2R)-3-(3-carboxybenzoyl)oxiran-2-yl]benzoic acid
CID 58757427
(3-nitrophenyl)-(3-phenyloxiran-2-yl)methanone
CID 14468067
[(2S,3R)-3-phenyloxiran-2-yl]-thiophen-3-ylmethanone
CID 102037295
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
naphthalene-2-carboxylic acid
CID 175967775
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
CID 12031052
[(2S,3R)-3-(3-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 102325705

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The IUPAC name of naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone (CID 10355976) is naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone is O=C(c1ccc2ccccc2c1)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The InChIKey is PQITXCJRXVAONR-OALUTQOASA-N. The full InChI is InChI=1S/C19H14O2/c20-17(19-18(21-19)14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18-19H/t18-,19-/m0/s1.
What are the key properties of naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone 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 naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone is sourced from PubChem (CID 10355976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).