(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate

C20H22O5 — CID 89467653

IUPAC(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate
SMILESO=C(Oc1ccc(O)cc1)c1ccc(OCC2CCC(O)CC2)cc1
InChIInChI=1S/C20H22O5/c21-16-5-1-14(2-6-16)13-24-18-9-3-15(4-10-18)20(23)25-19-11-7-17(22)8-12-19/h3-4,7-12,14,16,21-22H,1-2,5-6,13H2
InChIKeyVOFFJIPEWIRXII-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.54
Rot. Bonds5

About (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate

(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate (PubChem CID 89467653) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate
PubChem CID89467653
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate
SMILESO=C(Oc1ccc(O)cc1)c1ccc(OCC2CCC(O)CC2)cc1
InChIInChI=1S/C20H22O5/c21-16-5-1-14(2-6-16)13-24-18-9-3-15(4-10-18)20(23)25-19-11-7-17(22)8-12-19/h3-4,7-12,14,16,21-22H,1-2,5-6,13H2
InChIKeyVOFFJIPEWIRXII-UHFFFAOYSA-N
XLogP3.54
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
[4-[1-(oxiran-2-ylmethoxy)butoxy]phenyl] 4-[(4-hydroxycyclohexyl)methoxy]benzoate
CID 88957994
bis[4-(oxiran-2-ylmethoxy)phenyl] benzene-1,4-dicarboxylate
CID 101169143
[4-[(4-ethylcyclohexyl)methoxy]phenyl] 4-(2-acetyloxyethoxy)benzoate
CID 23516353
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
1-O-[4-(cyclopropylmethoxycarbonyl)phenyl] 4-O-[4-(oxiran-2-ylmethoxycarbonyl)phenyl] benzene-1,4-dicarboxylate
CID 161259283
(4-hydroxyphenyl) 4-propoxybenzoate
CID 22925850
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
[4-[2-(4-hydroxycyclohexyl)ethyl]phenyl] 4-decoxybenzoate
CID 139775417
cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
CID 159138590
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
(3,4,5-trifluorophenyl) 4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]benzoate
CID 54127263

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate?
The IUPAC name of (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate (CID 89467653) is (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate.
What is the SMILES notation for (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate?
The canonical SMILES for (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate is O=C(Oc1ccc(O)cc1)c1ccc(OCC2CCC(O)CC2)cc1.
What is the InChIKey of (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate?
The InChIKey is VOFFJIPEWIRXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c21-16-5-1-14(2-6-16)13-24-18-9-3-15(4-10-18)20(23)25-19-11-7-17(22)8-12-19/h3-4,7-12,14,16,21-22H,1-2,5-6,13H2.
What are the key properties of (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate?
(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate has a molecular weight of 342.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate is sourced from PubChem (CID 89467653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).