(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone

C20H30O — CID 116543285

IUPAC(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H30O/c1-5-7-15-8-6-9-17(14-15)19(21)16-10-12-18(13-11-16)20(2,3)4/h6,8-9,14,16,18H,5,7,10-13H2,1-4H3
InChIKeyYMEYQHCAKRUZBK-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.67
Rot. Bonds4

About (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone

(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone (PubChem CID 116543285) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
PubChem CID116543285
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H30O/c1-5-7-15-8-6-9-17(14-15)19(21)16-10-12-18(13-11-16)20(2,3)4/h6,8-9,14,16,18H,5,7,10-13H2,1-4H3
InChIKeyYMEYQHCAKRUZBK-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
(3-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 115812017
(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 65400283
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
(3-aminocyclopentyl)-(3-ethylphenyl)methanone
CID 116587204
(2-tert-butylphenyl)-(3-propylphenyl)methanone
CID 115812250
(3-propylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 105134013
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
(4-tert-butylcyclohexyl) 3-(cyanomethyl)benzoate
CID 82179752
2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
CID 116543458

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone (CID 116543285) is (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone?
The InChIKey is YMEYQHCAKRUZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-5-7-15-8-6-9-17(14-15)19(21)16-10-12-18(13-11-16)20(2,3)4/h6,8-9,14,16,18H,5,7,10-13H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone?
(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone has a molecular weight of 286.46 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116543285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).