methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate

C23H26O5 — CID 142496966

IUPACmethyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OCc2ccccc2)cc1C(=O)C1CCCCC1
InChIInChI=1S/C23H26O5/c1-26-20-14-19(23(25)27-2)18(22(24)17-11-7-4-8-12-17)13-21(20)28-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-2H3
InChIKeyFTSQYYOMLCZHCY-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.82
Rot. Bonds7

About methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate

methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate (PubChem CID 142496966) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate
PubChem CID142496966
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Namemethyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OCc2ccccc2)cc1C(=O)C1CCCCC1
InChIInChI=1S/C23H26O5/c1-26-20-14-19(23(25)27-2)18(22(24)17-11-7-4-8-12-17)13-21(20)28-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-2H3
InChIKeyFTSQYYOMLCZHCY-UHFFFAOYSA-N
XLogP4.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
2-[2-(4-methoxy-2-methoxycarbonyl-5-phenylmethoxyphenyl)ethynyl]pyrrolidine-1-carboxylic acid
CID 126739933
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylcyclopentanecarboxamide
CID 9118265
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate (CID 142496966) is methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate is COC(=O)c1cc(OC)c(OCc2ccccc2)cc1C(=O)C1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate?
The InChIKey is FTSQYYOMLCZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-26-20-14-19(23(25)27-2)18(22(24)17-11-7-4-8-12-17)13-21(20)28-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-2H3.
What are the key properties of methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate?
methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate has a molecular weight of 382.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 142496966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).