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

C21H18O4 — CID 16577371

IUPAC(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
SMILESCOc1ccc(COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C21H18O4/c1-24-20-12-2-15(3-13-20)14-25-21(23)18-6-4-16(5-7-18)17-8-10-19(22)11-9-17/h2-13,22H,14H2,1H3
InChIKeyJCMGISIPZVOTMG-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.42
Rot. Bonds5

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

(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 16577371) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
PubChem CID16577371
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
SMILESCOc1ccc(COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C21H18O4/c1-24-20-12-2-15(3-13-20)14-25-21(23)18-6-4-16(5-7-18)17-8-10-19(22)11-9-17/h2-13,22H,14H2,1H3
InChIKeyJCMGISIPZVOTMG-UHFFFAOYSA-N
XLogP4.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
CID 175436244
(4-methoxyphenyl)methoxymethyl 4-methylbenzoate
CID 15498572
(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate
CID 47143064
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807591

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate (CID 16577371) is (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate is COc1ccc(COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is JCMGISIPZVOTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-24-20-12-2-15(3-13-20)14-25-21(23)18-6-4-16(5-7-18)17-8-10-19(22)11-9-17/h2-13,22H,14H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate?
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 334.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 16577371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).