(4-formyl-3-hydroxy-5-methoxyphenyl) acetate

C10H10O5 — CID 141315375

IUPAC(4-formyl-3-hydroxy-5-methoxyphenyl) acetate
SMILESCOc1cc(OC(C)=O)cc(O)c1C=O
InChIInChI=1S/C10H10O5/c1-6(12)15-7-3-9(13)8(5-11)10(4-7)14-2/h3-5,13H,1-2H3
InChIKeyRETDHABKLITFQV-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.14
Rot. Bonds3

About (4-formyl-3-hydroxy-5-methoxyphenyl) acetate

(4-formyl-3-hydroxy-5-methoxyphenyl) acetate (PubChem CID 141315375) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is (4-formyl-3-hydroxy-5-methoxyphenyl) acetate.

Molecular Properties

Compound Name(4-formyl-3-hydroxy-5-methoxyphenyl) acetate
PubChem CID141315375
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name(4-formyl-3-hydroxy-5-methoxyphenyl) acetate
SMILESCOc1cc(OC(C)=O)cc(O)c1C=O
InChIInChI=1S/C10H10O5/c1-6(12)15-7-3-9(13)8(5-11)10(4-7)14-2/h3-5,13H,1-2H3
InChIKeyRETDHABKLITFQV-UHFFFAOYSA-N
XLogP1.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate
CID 11806680
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
(2-formyl-3,5-dimethoxy-6-methylphenyl) acetate
CID 131861598
2-bromo-4,6-dihydroxybenzaldehyde;2-bromo-4,6-dimethoxybenzaldehyde;tribromoborane
CID 157293715
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
(3,4-dimethoxyphenyl) acetate
CID 593001
[4-[3-(4-acetyloxy-2-hydroxy-6-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 74110996
(3-benzoyloxy-4-formyl-5-hydroxyphenyl) benzoate
CID 131871766
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate
CID 173058806
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948

Frequently Asked Questions

What is the IUPAC name of (4-formyl-3-hydroxy-5-methoxyphenyl) acetate?
The IUPAC name of (4-formyl-3-hydroxy-5-methoxyphenyl) acetate (CID 141315375) is (4-formyl-3-hydroxy-5-methoxyphenyl) acetate.
What is the SMILES notation for (4-formyl-3-hydroxy-5-methoxyphenyl) acetate?
The canonical SMILES for (4-formyl-3-hydroxy-5-methoxyphenyl) acetate is COc1cc(OC(C)=O)cc(O)c1C=O.
What is the InChIKey of (4-formyl-3-hydroxy-5-methoxyphenyl) acetate?
The InChIKey is RETDHABKLITFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-6(12)15-7-3-9(13)8(5-11)10(4-7)14-2/h3-5,13H,1-2H3.
What are the key properties of (4-formyl-3-hydroxy-5-methoxyphenyl) acetate?
(4-formyl-3-hydroxy-5-methoxyphenyl) acetate has a molecular weight of 210.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-3-hydroxy-5-methoxyphenyl) acetate is sourced from PubChem (CID 141315375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).