(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone

C23H28O5 — CID 22491293

IUPAC(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone
SMILESCOc1ccc(OC)c(C(=O)C2CC(OC)CCC2c2ccc(C)c(O)c2)c1
InChIInChI=1S/C23H28O5/c1-14-5-6-15(11-21(14)24)18-9-7-16(26-2)12-19(18)23(25)20-13-17(27-3)8-10-22(20)28-4/h5-6,8,10-11,13,16,18-19,24H,7,9,12H2,1-4H3
InChIKeyRDEBDMDFGMCHPB-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.50
Rot. Bonds6

About (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone

(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone (PubChem CID 22491293) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone
PubChem CID22491293
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Name(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone
SMILESCOc1ccc(OC)c(C(=O)C2CC(OC)CCC2c2ccc(C)c(O)c2)c1
InChIInChI=1S/C23H28O5/c1-14-5-6-15(11-21(14)24)18-9-7-16(26-2)12-19(18)23(25)20-13-17(27-3)8-10-22(20)28-4/h5-6,8,10-11,13,16,18-19,24H,7,9,12H2,1-4H3
InChIKeyRDEBDMDFGMCHPB-UHFFFAOYSA-N
XLogP4.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone with MolForge

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Related Compounds

(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
(2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone
CID 22491182
[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
CID 22491270
(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone
CID 22491338
[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
CID 22491332
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
[5-[2-(2,5-dimethoxybenzoyl)cyclohexyl]-2-fluorophenoxy] dihydrogen phosphate
CID 87975005
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone (CID 22491293) is (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone is COc1ccc(OC)c(C(=O)C2CC(OC)CCC2c2ccc(C)c(O)c2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone?
The InChIKey is RDEBDMDFGMCHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O5/c1-14-5-6-15(11-21(14)24)18-9-7-16(26-2)12-19(18)23(25)20-13-17(27-3)8-10-22(20)28-4/h5-6,8,10-11,13,16,18-19,24H,7,9,12H2,1-4H3.
What are the key properties of (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone?
(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone has a molecular weight of 384.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone is sourced from PubChem (CID 22491293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).