methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate

C23H28O4 — CID 139950531

IUPACmethyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate
SMILESCOC(=O)c1cc(C(O)Cc2ccccc2)ccc1OCC1CCCCC1
InChIInChI=1S/C23H28O4/c1-26-23(25)20-15-19(21(24)14-17-8-4-2-5-9-17)12-13-22(20)27-16-18-10-6-3-7-11-18/h2,4-5,8-9,12-13,15,18,21,24H,3,6-7,10-11,14,16H2,1H3
InChIKeyQXZOXPLEMOOQCF-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.71
Rot. Bonds7

About methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate

methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate (PubChem CID 139950531) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate
PubChem CID139950531
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Namemethyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate
SMILESCOC(=O)c1cc(C(O)Cc2ccccc2)ccc1OCC1CCCCC1
InChIInChI=1S/C23H28O4/c1-26-23(25)20-15-19(21(24)14-17-8-4-2-5-9-17)12-13-22(20)27-16-18-10-6-3-7-11-18/h2,4-5,8-9,12-13,15,18,21,24H,3,6-7,10-11,14,16H2,1H3
InChIKeyQXZOXPLEMOOQCF-UHFFFAOYSA-N
XLogP4.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate?
The IUPAC name of methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate (CID 139950531) is methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate.
What is the SMILES notation for methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate?
The canonical SMILES for methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate is COC(=O)c1cc(C(O)Cc2ccccc2)ccc1OCC1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate?
The InChIKey is QXZOXPLEMOOQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-26-23(25)20-15-19(21(24)14-17-8-4-2-5-9-17)12-13-22(20)27-16-18-10-6-3-7-11-18/h2,4-5,8-9,12-13,15,18,21,24H,3,6-7,10-11,14,16H2,1H3.
What are the key properties of methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate?
methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate has a molecular weight of 368.47 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate is sourced from PubChem (CID 139950531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).