(4-formyl-3-methoxyphenyl) acetate

C10H10O4 — CID 22633336

IUPAC(4-formyl-3-methoxyphenyl) acetate
SMILESCOc1cc(OC(C)=O)ccc1C=O
InChIInChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)10(5-9)13-2/h3-6H,1-2H3
InChIKeyPPIOKNUCIBXREP-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.43
Rot. Bonds3

About (4-formyl-3-methoxyphenyl) acetate

(4-formyl-3-methoxyphenyl) acetate (PubChem CID 22633336) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (4-formyl-3-methoxyphenyl) acetate.

Molecular Properties

Compound Name(4-formyl-3-methoxyphenyl) acetate
PubChem CID22633336
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(4-formyl-3-methoxyphenyl) acetate
SMILESCOc1cc(OC(C)=O)ccc1C=O
InChIInChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)10(5-9)13-2/h3-6H,1-2H3
InChIKeyPPIOKNUCIBXREP-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethoxyphenyl) acetate
CID 593001
acetic acid;(4-formyl-3-hydroxyphenyl) acetate
CID 87581863
5-acetyloxy-2-formylbenzoic acid
CID 23035901
[4-[(Z)-3-amino-3-oxo-2-phenylprop-1-enyl]-3-methoxyphenyl] acetate
CID 141195177
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
[4-(1-bromo-2-oxoethyl)-3-methoxyphenyl] acetate
CID 174448994
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
(4-formyl-3-hydroxy-5-methoxyphenyl) acetate
CID 141315375
(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate
CID 22153350
[3-acetyloxy-4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 71324556

Frequently Asked Questions

What is the IUPAC name of (4-formyl-3-methoxyphenyl) acetate?
The IUPAC name of (4-formyl-3-methoxyphenyl) acetate (CID 22633336) is (4-formyl-3-methoxyphenyl) acetate.
What is the SMILES notation for (4-formyl-3-methoxyphenyl) acetate?
The canonical SMILES for (4-formyl-3-methoxyphenyl) acetate is COc1cc(OC(C)=O)ccc1C=O.
What is the InChIKey of (4-formyl-3-methoxyphenyl) acetate?
The InChIKey is PPIOKNUCIBXREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)10(5-9)13-2/h3-6H,1-2H3.
What are the key properties of (4-formyl-3-methoxyphenyl) acetate?
(4-formyl-3-methoxyphenyl) acetate has a molecular weight of 194.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-3-methoxyphenyl) acetate is sourced from PubChem (CID 22633336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).