[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate

C12H14O5 — CID 54123308

IUPAC[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)C(C)O)ccc1OC(C)=O
InChIInChI=1S/C12H14O5/c1-7(13)12(15)9-4-5-10(17-8(2)14)11(6-9)16-3/h4-7,13H,1-3H3
InChIKeyNPFKSUZBYRCHCF-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.18
Rot. Bonds4

About [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate

[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate (PubChem CID 54123308) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
PubChem CID54123308
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)C(C)O)ccc1OC(C)=O
InChIInChI=1S/C12H14O5/c1-7(13)12(15)9-4-5-10(17-8(2)14)11(6-9)16-3/h4-7,13H,1-3H3
InChIKeyNPFKSUZBYRCHCF-UHFFFAOYSA-N
XLogP1.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate
CID 91753552
(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one
CID 102213329
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
(5-carbonochloridoyl-2-methoxyphenyl) acetate
CID 18536926
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
(2S)-3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 34957180
cyclohexylmethyl 4-acetyloxy-3-methoxybenzoate
CID 75430384
2-bromo-1-(3,4-dimethoxyphenyl)-2-methoxyethanone
CID 19388505
[4-(3,4-dimethoxyphenyl)sulfanyl-2-methoxyphenyl] acetate
CID 122520347
2-bromo-1-(3,4-dimethoxyphenyl)-2-fluoroethanone
CID 57154420

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate?
The IUPAC name of [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate (CID 54123308) is [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate?
The canonical SMILES for [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate is COc1cc(C(=O)C(C)O)ccc1OC(C)=O.
What is the InChIKey of [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate?
The InChIKey is NPFKSUZBYRCHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-7(13)12(15)9-4-5-10(17-8(2)14)11(6-9)16-3/h4-7,13H,1-3H3.
What are the key properties of [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate?
[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate has a molecular weight of 238.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate is sourced from PubChem (CID 54123308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).