(4-butylcyclohexyl)-(4-methoxyphenyl)methanone

C18H26O2 — CID 43160491

IUPAC(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
SMILESCCCCC1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26O2/c1-3-4-5-14-6-8-15(9-7-14)18(19)16-10-12-17(20-2)13-11-16/h10-15H,3-9H2,1-2H3
InChIKeySVIQCDMGCVTBAD-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.87
Rot. Bonds6

About (4-butylcyclohexyl)-(4-methoxyphenyl)methanone

(4-butylcyclohexyl)-(4-methoxyphenyl)methanone (PubChem CID 43160491) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
PubChem CID43160491
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
SMILESCCCCC1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26O2/c1-3-4-5-14-6-8-15(9-7-14)18(19)16-10-12-17(20-2)13-11-16/h10-15H,3-9H2,1-2H3
InChIKeySVIQCDMGCVTBAD-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylcyclohexyl)-(4-iodophenyl)methanone
CID 43338206
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
(4-methoxyphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 23334967
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
(4-methoxyphenyl) 4-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexane-1-carboxylate
CID 139866991
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
(3-amino-4-propoxyphenyl)-(4-butylcyclohexyl)methanone
CID 94759005
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
(4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
CID 115796981
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118121
(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
CID 65424840
(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65393507

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(4-methoxyphenyl)methanone (CID 43160491) is (4-butylcyclohexyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(4-methoxyphenyl)methanone is CCCCC1CCC(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(4-methoxyphenyl)methanone?
The InChIKey is SVIQCDMGCVTBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-4-5-14-6-8-15(9-7-14)18(19)16-10-12-17(20-2)13-11-16/h10-15H,3-9H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(4-methoxyphenyl)methanone?
(4-butylcyclohexyl)-(4-methoxyphenyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 43160491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).