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

C17H24O3 — CID 65391983

IUPAC(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(C)(C)CC2)c(OC)c1
InChIInChI=1S/C17H24O3/c1-17(2)9-7-12(8-10-17)16(18)14-6-5-13(19-3)11-15(14)20-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyYNPKVDOUQRETBL-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.10
Rot. Bonds4

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

(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone (PubChem CID 65391983) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
PubChem CID65391983
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(C)(C)CC2)c(OC)c1
InChIInChI=1S/C17H24O3/c1-17(2)9-7-12(8-10-17)16(18)14-6-5-13(19-3)11-15(14)20-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyYNPKVDOUQRETBL-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
CID 114215602
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814029
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391792
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone (CID 65391983) is (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone is COc1ccc(C(=O)C2CCC(C)(C)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone?
The InChIKey is YNPKVDOUQRETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(2)9-7-12(8-10-17)16(18)14-6-5-13(19-3)11-15(14)20-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone?
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 65391983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).