2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate

C16H16O4 — CID 14704104

IUPAC2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16O4/c1-19-15-8-4-13(5-9-15)16(18)20-11-10-12-2-6-14(17)7-3-12/h2-9,17H,10-11H2,1H3
InChIKeyDSMAYKYXHOGICG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.80
Rot. Bonds5

About 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate

2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate (PubChem CID 14704104) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate
PubChem CID14704104
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16O4/c1-19-15-8-4-13(5-9-15)16(18)20-11-10-12-2-6-14(17)7-3-12/h2-9,17H,10-11H2,1H3
InChIKeyDSMAYKYXHOGICG-UHFFFAOYSA-N
XLogP2.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate (CID 14704104) is 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate is COc1ccc(C(=O)OCCc2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate?
The InChIKey is DSMAYKYXHOGICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-15-8-4-13(5-9-15)16(18)20-11-10-12-2-6-14(17)7-3-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate?
2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate has a molecular weight of 272.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate is sourced from PubChem (CID 14704104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).