cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone

C20H30O2 — CID 82265790

IUPACcyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone
SMILESCCOc1c(C(C)(C)C)cc(C(=O)C2CC2)cc1C(C)(C)C
InChIInChI=1S/C20H30O2/c1-8-22-18-15(19(2,3)4)11-14(17(21)13-9-10-13)12-16(18)20(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeyFXQUVZACNHMQNV-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.27
Rot. Bonds4

About cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone

cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone (PubChem CID 82265790) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone
PubChem CID82265790
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Namecyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone
SMILESCCOc1c(C(C)(C)C)cc(C(=O)C2CC2)cc1C(C)(C)C
InChIInChI=1S/C20H30O2/c1-8-22-18-15(19(2,3)4)11-14(17(21)13-9-10-13)12-16(18)20(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeyFXQUVZACNHMQNV-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-tert-butyl-4-ethoxyphenyl)-cyclopropylmethanone
CID 82263872
2-bromo-1-(3-tert-butyl-4,5-diethoxyphenyl)ethanone
CID 58136889
cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone
CID 82550728
1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
CID 82265791
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
cyclohexyl-(3,4-ditert-butylphenyl)methanone
CID 86188783
propan-2-yl 2-(3,5-ditert-butyl-4-ethoxyphenyl)acetate
CID 82552909
(4-aminocyclohexyl)-(3,4-diethoxyphenyl)methanone
CID 116557438
bis((3,5-ditert-butyl-4-ethoxyphenyl)methylphosphonic acid);nickel
CID 87117902
ethyl 3-tert-butyl-2-ethoxy-5-methylbenzoate
CID 82551645
cyclopropyl-(3,5-dibromophenyl)methanone
CID 107976980
1,3-ditert-butyl-2-ethoxy-5-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]benzene
CID 59926362

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone?
The IUPAC name of cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone (CID 82265790) is cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone.
What is the SMILES notation for cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone?
The canonical SMILES for cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone is CCOc1c(C(C)(C)C)cc(C(=O)C2CC2)cc1C(C)(C)C.
What is the InChIKey of cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone?
The InChIKey is FXQUVZACNHMQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-8-22-18-15(19(2,3)4)11-14(17(21)13-9-10-13)12-16(18)20(5,6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone?
cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone has a molecular weight of 302.46 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone is sourced from PubChem (CID 82265790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).