(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone

C26H20O3 — CID 2781017

IUPAC(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone
SMILESO=C(c1c(OCc2ccccc2)ccc2ccccc12)C1OC1c1ccccc1
InChIInChI=1S/C26H20O3/c27-24(26-25(29-26)20-12-5-2-6-13-20)23-21-14-8-7-11-19(21)15-16-22(23)28-17-18-9-3-1-4-10-18/h1-16,25-26H,17H2
InChIKeyHGNVDMRTMKAERM-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.74
Rot. Bonds6

About (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone

(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone (PubChem CID 2781017) has the molecular formula C26H20O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone.

Molecular Properties

Compound Name(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone
PubChem CID2781017
Molecular FormulaC26H20O3
Molecular Weight380.44 g/mol
Exact Mass380.14
IUPAC Name(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone
SMILESO=C(c1c(OCc2ccccc2)ccc2ccccc12)C1OC1c1ccccc1
InChIInChI=1S/C26H20O3/c27-24(26-25(29-26)20-12-5-2-6-13-20)23-21-14-8-7-11-19(21)15-16-22(23)28-17-18-9-3-1-4-10-18/h1-16,25-26H,17H2
InChIKeyHGNVDMRTMKAERM-UHFFFAOYSA-N
XLogP5.74
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
CID 7036097
[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 26985531
(Z)-3-phenyl-1-(2-phenylmethoxynaphthalen-1-yl)prop-2-en-1-one
CID 92908965
4-[(2S,3R)-3-(2-phenylmethoxybenzoyl)oxiran-2-yl]benzoate
CID 7036125
[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11442314
(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone
CID 2780997
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
tert-butyl 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxynaphthalene-1-carbonyl)benzoate
CID 10886822
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
(NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine
CID 172985704
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 102295273

Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone?
The IUPAC name of (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone (CID 2781017) is (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone.
What is the SMILES notation for (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone?
The canonical SMILES for (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone is O=C(c1c(OCc2ccccc2)ccc2ccccc12)C1OC1c1ccccc1.
What is the InChIKey of (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone?
The InChIKey is HGNVDMRTMKAERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3/c27-24(26-25(29-26)20-12-5-2-6-13-20)23-21-14-8-7-11-19(21)15-16-22(23)28-17-18-9-3-1-4-10-18/h1-16,25-26H,17H2.
What are the key properties of (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone?
(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone has a molecular weight of 380.44 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone is sourced from PubChem (CID 2781017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).