cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone

C29H38O6 — CID 68924260

IUPACcyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)C2CCCCC2)c1.COc1ccc(OC)c(C(=O)C2CCCCC2)c1
InChIInChI=1S/C15H20O3.C14H18O3/c1-17-12-8-9-14(18-2)13(10-12)15(16)11-6-4-3-5-7-11;1-17-11-7-8-13(15)12(9-11)14(16)10-5-3-2-4-6-10/h8-11H,3-7H2,1-2H3;7-10,15H,2-6H2,1H3
InChIKeyYBSCBLGCKQZYCS-UHFFFAOYSA-N
MW482.62 g/mol
LogP6.63
Rot. Bonds7

About cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone

cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 68924260) has the molecular formula C29H38O6 and a molecular weight of 482.62 g/mol. Its IUPAC name is cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID68924260
Molecular FormulaC29H38O6
Molecular Weight482.62 g/mol
Exact Mass482.27
IUPAC Namecyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)C2CCCCC2)c1.COc1ccc(OC)c(C(=O)C2CCCCC2)c1
InChIInChI=1S/C15H20O3.C14H18O3/c1-17-12-8-9-14(18-2)13(10-12)15(16)11-6-4-3-5-7-11;1-17-11-7-8-13(15)12(9-11)14(16)10-5-3-2-4-6-10/h8-11H,3-7H2,1-2H3;7-10,15H,2-6H2,1H3
InChIKeyYBSCBLGCKQZYCS-UHFFFAOYSA-N
XLogP6.63
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone (CID 68924260) is cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)C2CCCCC2)c1.COc1ccc(OC)c(C(=O)C2CCCCC2)c1.
What is the InChIKey of cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is YBSCBLGCKQZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3.C14H18O3/c1-17-12-8-9-14(18-2)13(10-12)15(16)11-6-4-3-5-7-11;1-17-11-7-8-13(15)12(9-11)14(16)10-5-3-2-4-6-10/h8-11H,3-7H2,1-2H3;7-10,15H,2-6H2,1H3.
What are the key properties of cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone?
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 482.62 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 68924260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).