[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate

C15H14O4 — CID 164597980

IUPAC[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate
SMILESCOc1ccc(-c2ccc(O)cc2OC(C)=O)cc1
InChIInChI=1S/C15H14O4/c1-10(16)19-15-9-12(17)5-8-14(15)11-3-6-13(18-2)7-4-11/h3-9,17H,1-2H3
InChIKeyAEOGKXLBGCIRBQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.99
Rot. Bonds3

About [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate

[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate (PubChem CID 164597980) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate.

Molecular Properties

Compound Name[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate
PubChem CID164597980
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate
SMILESCOc1ccc(-c2ccc(O)cc2OC(C)=O)cc1
InChIInChI=1S/C15H14O4/c1-10(16)19-15-9-12(17)5-8-14(15)11-3-6-13(18-2)7-4-11/h3-9,17H,1-2H3
InChIKeyAEOGKXLBGCIRBQ-UHFFFAOYSA-N
XLogP2.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.99
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

5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
6-(4-hydroxy-2-methoxyphenyl)naphthalen-2-ol
CID 10125342
[2-(4-methoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)phenyl] 2-methylprop-2-enoate
CID 134244888
[2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate
CID 10894199
[8-acetyloxy-3-(4-methoxyphenyl)-2-oxochromen-7-yl] acetate
CID 23371939
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate?
The IUPAC name of [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate (CID 164597980) is [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate.
What is the SMILES notation for [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate?
The canonical SMILES for [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate is COc1ccc(-c2ccc(O)cc2OC(C)=O)cc1.
What is the InChIKey of [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate?
The InChIKey is AEOGKXLBGCIRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-10(16)19-15-9-12(17)5-8-14(15)11-3-6-13(18-2)7-4-11/h3-9,17H,1-2H3.
What are the key properties of [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate?
[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate has a molecular weight of 258.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate is sourced from PubChem (CID 164597980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).