(4-cyclohexylphenyl) 3-methoxybenzoate

C20H22O3 — CID 6943728

IUPAC(4-cyclohexylphenyl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C20H22O3/c1-22-19-9-5-8-17(14-19)20(21)23-18-12-10-16(11-13-18)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3
InChIKeyVISNQPUDSBDKBC-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.96
Rot. Bonds4

About (4-cyclohexylphenyl) 3-methoxybenzoate

(4-cyclohexylphenyl) 3-methoxybenzoate (PubChem CID 6943728) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (4-cyclohexylphenyl) 3-methoxybenzoate.

Molecular Properties

Compound Name(4-cyclohexylphenyl) 3-methoxybenzoate
PubChem CID6943728
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(4-cyclohexylphenyl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C20H22O3/c1-22-19-9-5-8-17(14-19)20(21)23-18-12-10-16(11-13-18)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3
InChIKeyVISNQPUDSBDKBC-UHFFFAOYSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-cyclohexyl-4-(3-methoxybenzoyl)oxyphenyl] 3-methoxybenzoate
CID 2831606
phenyl 3-cyclohexylbenzoate
CID 67161898
(4-cyclohexylphenyl) 3-bromo-4-methoxybenzoate
CID 22310284
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
3-(4-cyclohexylphenoxy)benzoic acid
CID 15225599
[4-[4-(3-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 3-methoxybenzoate
CID 988900
(4-cyanophenyl) 3-methoxybenzoate
CID 532539
(4-cyanophenyl) 4-cyclohexylbenzoate
CID 139383045
methyl 3-cyclohexylbenzoate
CID 67160762
2-cyclohexylpropan-2-yl 3-methoxybenzoate
CID 139665824
phenyl 4-[2-(4-cyclohexylphenyl)ethynyl]benzoate
CID 20724451
(4-cyclohexylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126185466

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl) 3-methoxybenzoate?
The IUPAC name of (4-cyclohexylphenyl) 3-methoxybenzoate (CID 6943728) is (4-cyclohexylphenyl) 3-methoxybenzoate.
What is the SMILES notation for (4-cyclohexylphenyl) 3-methoxybenzoate?
The canonical SMILES for (4-cyclohexylphenyl) 3-methoxybenzoate is COc1cccc(C(=O)Oc2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of (4-cyclohexylphenyl) 3-methoxybenzoate?
The InChIKey is VISNQPUDSBDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-22-19-9-5-8-17(14-19)20(21)23-18-12-10-16(11-13-18)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3.
What are the key properties of (4-cyclohexylphenyl) 3-methoxybenzoate?
(4-cyclohexylphenyl) 3-methoxybenzoate has a molecular weight of 310.39 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl) 3-methoxybenzoate is sourced from PubChem (CID 6943728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).