[4-(hydroxymethyl)-3-methoxyphenyl] acetate

C10H12O4 — CID 57125799

IUPAC[4-(hydroxymethyl)-3-methoxyphenyl] acetate
SMILESCOc1cc(OC(C)=O)ccc1CO
InChIInChI=1S/C10H12O4/c1-7(12)14-9-4-3-8(6-11)10(5-9)13-2/h3-5,11H,6H2,1-2H3
InChIKeyUAPRNLDEGBZXQS-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.11
Rot. Bonds3

About [4-(hydroxymethyl)-3-methoxyphenyl] acetate

[4-(hydroxymethyl)-3-methoxyphenyl] acetate (PubChem CID 57125799) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is [4-(hydroxymethyl)-3-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-(hydroxymethyl)-3-methoxyphenyl] acetate
PubChem CID57125799
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name[4-(hydroxymethyl)-3-methoxyphenyl] acetate
SMILESCOc1cc(OC(C)=O)ccc1CO
InChIInChI=1S/C10H12O4/c1-7(12)14-9-4-3-8(6-11)10(5-9)13-2/h3-5,11H,6H2,1-2H3
InChIKeyUAPRNLDEGBZXQS-UHFFFAOYSA-N
XLogP1.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(hydroxymethyl)-3-methoxyphenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethoxyphenyl) acetate
CID 593001
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
(2S)-2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid
CID 1268135
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
CID 175850225
6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
CID 67259239
[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
CID 67761426
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
(3-acetyloxy-4-propylphenyl) acetate
CID 14592780
[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone
CID 168803173
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-3-methoxyphenyl] acetate?
The IUPAC name of [4-(hydroxymethyl)-3-methoxyphenyl] acetate (CID 57125799) is [4-(hydroxymethyl)-3-methoxyphenyl] acetate.
What is the SMILES notation for [4-(hydroxymethyl)-3-methoxyphenyl] acetate?
The canonical SMILES for [4-(hydroxymethyl)-3-methoxyphenyl] acetate is COc1cc(OC(C)=O)ccc1CO.
What is the InChIKey of [4-(hydroxymethyl)-3-methoxyphenyl] acetate?
The InChIKey is UAPRNLDEGBZXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7(12)14-9-4-3-8(6-11)10(5-9)13-2/h3-5,11H,6H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)-3-methoxyphenyl] acetate?
[4-(hydroxymethyl)-3-methoxyphenyl] acetate has a molecular weight of 196.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-3-methoxyphenyl] acetate is sourced from PubChem (CID 57125799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).