(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone

C18H25FO — CID 65400283

IUPAC(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)C2CCC(C(C)(C)C)CC2)ccc1F
InChIInChI=1S/C18H25FO/c1-12-11-14(7-10-16(12)19)17(20)13-5-8-15(9-6-13)18(2,3)4/h7,10-11,13,15H,5-6,8-9H2,1-4H3
InChIKeyKUCALIUULFPNAB-UHFFFAOYSA-N
MW276.40 g/mol
LogP5.17
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone

(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 65400283) has the molecular formula C18H25FO and a molecular weight of 276.40 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID65400283
Molecular FormulaC18H25FO
Molecular Weight276.40 g/mol
Exact Mass276.19
IUPAC Name(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)C2CCC(C(C)(C)C)CC2)ccc1F
InChIInChI=1S/C18H25FO/c1-12-11-14(7-10-16(12)19)17(20)13-5-8-15(9-6-13)18(2,3)4/h7,10-11,13,15H,5-6,8-9H2,1-4H3
InChIKeyKUCALIUULFPNAB-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 64775002
(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223
(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 65401097
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
CID 113297061
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
CID 116543285
[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110394232

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone (CID 65400283) is (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)C2CCC(C(C)(C)C)CC2)ccc1F.
What is the InChIKey of (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is KUCALIUULFPNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO/c1-12-11-14(7-10-16(12)19)17(20)13-5-8-15(9-6-13)18(2,3)4/h7,10-11,13,15H,5-6,8-9H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone?
(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 276.40 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 65400283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).