(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone

C17H24O3 — CID 107176305

IUPAC(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2CCCCC2(C)C)cc1OC
InChIInChI=1S/C17H24O3/c1-17(2)10-6-5-7-13(17)16(18)12-8-9-14(19-3)15(11-12)20-4/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyYEGYEPGZERMLAM-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.10
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone

(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107176305) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
PubChem CID107176305
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2CCCCC2(C)C)cc1OC
InChIInChI=1S/C17H24O3/c1-17(2)10-6-5-7-13(17)16(18)12-8-9-14(19-3)15(11-12)20-4/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyYEGYEPGZERMLAM-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

(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
(4-tert-butylphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176238
(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 107186902
(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525
1-(2,2-dimethylcyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107186738
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107176730
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid
CID 117045757
1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone
CID 117052296

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone (CID 107176305) is (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone is COc1ccc(C(=O)C2CCCCC2(C)C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is YEGYEPGZERMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(2)10-6-5-7-13(17)16(18)12-8-9-14(19-3)15(11-12)20-4/h8-9,11,13H,5-7,10H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone?
(3,4-dimethoxyphenyl)-(2,2-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 (3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107176305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).