[3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C20H20O2 — CID 46886655

IUPAC[3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCc1ccc(C2OC2C(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H20O2/c1-13-6-8-15(9-7-13)19-20(22-19)18(21)17-11-10-14-4-2-3-5-16(14)12-17/h6-12,19-20H,2-5H2,1H3
InChIKeyADGQVAHBLJXFLH-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.20
Rot. Bonds3

About [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 46886655) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID46886655
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name[3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCc1ccc(C2OC2C(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H20O2/c1-13-6-8-15(9-7-13)19-20(22-19)18(21)17-11-10-14-4-2-3-5-16(14)12-17/h6-12,19-20H,2-5H2,1H3
InChIKeyADGQVAHBLJXFLH-UHFFFAOYSA-N
XLogP4.20
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.20
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

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CID 90794
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CID 150734
CID 150734
CID 9842010
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CID 11057350
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CID 13632690
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CID 13632695
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CID 20645230
CID 20645230

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 46886655) is [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is Cc1ccc(C2OC2C(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is ADGQVAHBLJXFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-13-6-8-15(9-7-13)19-20(22-19)18(21)17-11-10-14-4-2-3-5-16(14)12-17/h6-12,19-20H,2-5H2,1H3.
What are the key properties of [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 46886655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).