cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate

C23H26O5 — CID 130473799

IUPACcyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate
SMILESCOc1ccc(CC(=O)Oc2ccc(C(=O)OCC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H26O5/c1-26-20-11-7-17(8-12-20)15-22(24)28-21-13-9-19(10-14-21)23(25)27-16-18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3
InChIKeyFRTMJBFXGMUFNM-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.58
Rot. Bonds7

About cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate

cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate (PubChem CID 130473799) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate.

Molecular Properties

Compound Namecyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate
PubChem CID130473799
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Namecyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate
SMILESCOc1ccc(CC(=O)Oc2ccc(C(=O)OCC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H26O5/c1-26-20-11-7-17(8-12-20)15-22(24)28-21-13-9-19(10-14-21)23(25)27-16-18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3
InChIKeyFRTMJBFXGMUFNM-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
cyclohexylmethyl 4-(2-aminoethyl)benzoate
CID 55068002
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate
CID 149336494
4-O-(4-acetylphenyl) 1-O-(cyclohexylmethyl) butanedioate
CID 91700875
cyclohexylmethyl 2-(4-aminophenyl)acetate
CID 61321508
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
cyclohexylmethyl 4-acetyloxy-3-methoxybenzoate
CID 75430384
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 4-methoxybenzoate
CID 6942190
cyclohexylmethyl 2-(4-sulfanylphenyl)acetate
CID 107018726
4-O-(cyclohexylmethyl) 1-O-decyl benzene-1,4-dicarboxylate
CID 91700807
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2-(4-methoxyphenyl)acetate
CID 11860627

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate?
The IUPAC name of cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate (CID 130473799) is cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate.
What is the SMILES notation for cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate?
The canonical SMILES for cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate is COc1ccc(CC(=O)Oc2ccc(C(=O)OCC3CCCCC3)cc2)cc1.
What is the InChIKey of cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate?
The InChIKey is FRTMJBFXGMUFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-26-20-11-7-17(8-12-20)15-22(24)28-21-13-9-19(10-14-21)23(25)27-16-18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3.
What are the key properties of cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate?
cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate has a molecular weight of 382.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate is sourced from PubChem (CID 130473799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).