1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone

C18H26O — CID 159372222

IUPAC1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone
SMILESCC(C)C1(CC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H26O/c1-13(2)18(10-11-18)12-16(19)14-6-8-15(9-7-14)17(3,4)5/h6-9,13H,10-12H2,1-5H3
InChIKeyFVDLPFWEWCBTRA-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.99
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone

1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone (PubChem CID 159372222) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone
PubChem CID159372222
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone
SMILESCC(C)C1(CC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H26O/c1-13(2)18(10-11-18)12-16(19)14-6-8-15(9-7-14)17(3,4)5/h6-9,13H,10-12H2,1-5H3
InChIKeyFVDLPFWEWCBTRA-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone (CID 159372222) is 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone is CC(C)C1(CC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone?
The InChIKey is FVDLPFWEWCBTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-13(2)18(10-11-18)12-16(19)14-6-8-15(9-7-14)17(3,4)5/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone?
1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone has a molecular weight of 258.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(1-propan-2-ylcyclopropyl)ethanone is sourced from PubChem (CID 159372222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).