(2-tert-butylphenyl)-(3-propylphenyl)methanone

C20H24O — CID 115812250

IUPAC(2-tert-butylphenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H24O/c1-5-9-15-10-8-11-16(14-15)19(21)17-12-6-7-13-18(17)20(2,3)4/h6-8,10-14H,5,9H2,1-4H3
InChIKeyMJWCBGXOWBMEHF-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.17
Rot. Bonds4

About (2-tert-butylphenyl)-(3-propylphenyl)methanone

(2-tert-butylphenyl)-(3-propylphenyl)methanone (PubChem CID 115812250) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(3-propylphenyl)methanone
PubChem CID115812250
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(2-tert-butylphenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H24O/c1-5-9-15-10-8-11-16(14-15)19(21)17-12-6-7-13-18(17)20(2,3)4/h6-8,10-14H,5,9H2,1-4H3
InChIKeyMJWCBGXOWBMEHF-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
(5-ethylthiophen-2-yl)-(3-propylphenyl)methanone
CID 115812121
(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
CID 115812154
(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone
CID 116543424
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(3-propylphenyl)methanone?
The IUPAC name of (2-tert-butylphenyl)-(3-propylphenyl)methanone (CID 115812250) is (2-tert-butylphenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (2-tert-butylphenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (2-tert-butylphenyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2ccccc2C(C)(C)C)c1.
What is the InChIKey of (2-tert-butylphenyl)-(3-propylphenyl)methanone?
The InChIKey is MJWCBGXOWBMEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-5-9-15-10-8-11-16(14-15)19(21)17-12-6-7-13-18(17)20(2,3)4/h6-8,10-14H,5,9H2,1-4H3.
What are the key properties of (2-tert-butylphenyl)-(3-propylphenyl)methanone?
(2-tert-butylphenyl)-(3-propylphenyl)methanone has a molecular weight of 280.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 115812250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).