(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate

C20H16O4 — CID 154936541

IUPAC(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
SMILESCOc1ccc(-c2ccc(C(=O)Oc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H16O4/c1-23-18-10-6-15(7-11-18)14-2-4-16(5-3-14)20(22)24-19-12-8-17(21)9-13-19/h2-13,21H,1H3
InChIKeyYZMMJVVYYWQGEQ-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.29
Rot. Bonds4

About (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate

(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate (PubChem CID 154936541) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
PubChem CID154936541
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
SMILESCOc1ccc(-c2ccc(C(=O)Oc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H16O4/c1-23-18-10-6-15(7-11-18)14-2-4-16(5-3-14)20(22)24-19-12-8-17(21)9-13-19/h2-13,21H,1H3
InChIKeyYZMMJVVYYWQGEQ-UHFFFAOYSA-N
XLogP4.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
[4-(3,4-dihydroxyphenyl)phenyl] 4-methoxybenzoate
CID 122595867
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
ethane;4-(4-methoxyphenyl)phenol
CID 161219857

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate?
The IUPAC name of (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate (CID 154936541) is (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate.
What is the SMILES notation for (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate?
The canonical SMILES for (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate is COc1ccc(-c2ccc(C(=O)Oc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate?
The InChIKey is YZMMJVVYYWQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-23-18-10-6-15(7-11-18)14-2-4-16(5-3-14)20(22)24-19-12-8-17(21)9-13-19/h2-13,21H,1H3.
What are the key properties of (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate?
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate has a molecular weight of 320.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate is sourced from PubChem (CID 154936541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).