(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone

C18H26O2 — CID 107186902

IUPAC(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCCCC2(C)C)cc1
InChIInChI=1S/C18H26O2/c1-4-13-20-15-10-8-14(9-11-15)17(19)16-7-5-6-12-18(16,2)3/h8-11,16H,4-7,12-13H2,1-3H3
InChIKeyPLSLARPBVPNJSK-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.87
Rot. Bonds5

About (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone

(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone (PubChem CID 107186902) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone
PubChem CID107186902
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCCCC2(C)C)cc1
InChIInChI=1S/C18H26O2/c1-4-13-20-15-10-8-14(9-11-15)17(19)16-7-5-6-12-18(16,2)3/h8-11,16H,4-7,12-13H2,1-3H3
InChIKeyPLSLARPBVPNJSK-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
(4-tert-butylphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176238
(1,1-dioxothian-2-yl)-(4-propoxyphenyl)methanone
CID 114971121
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
N-cyclohexyl-4-propoxybenzamide
CID 4938429
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
CID 116592105
2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
CID 116591254
(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
CID 107176518
N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 22992855

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone (CID 107186902) is (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2CCCCC2(C)C)cc1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone?
The InChIKey is PLSLARPBVPNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-13-20-15-10-8-14(9-11-15)17(19)16-7-5-6-12-18(16,2)3/h8-11,16H,4-7,12-13H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone?
(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 107186902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).