1-hydroxyethyl 4-methoxybenzoate

C10H12O4 — CID 67719638

IUPAC1-hydroxyethyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)O)cc1
InChIInChI=1S/C10H12O4/c1-7(11)14-10(12)8-3-5-9(13-2)6-4-8/h3-7,11H,1-2H3
InChIKeyKCEABMOHBXZMMJ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.19
Rot. Bonds3

About 1-hydroxyethyl 4-methoxybenzoate

1-hydroxyethyl 4-methoxybenzoate (PubChem CID 67719638) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-hydroxyethyl 4-methoxybenzoate.

Molecular Properties

Compound Name1-hydroxyethyl 4-methoxybenzoate
PubChem CID67719638
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-hydroxyethyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)O)cc1
InChIInChI=1S/C10H12O4/c1-7(11)14-10(12)8-3-5-9(13-2)6-4-8/h3-7,11H,1-2H3
InChIKeyKCEABMOHBXZMMJ-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid
CID 10273497
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 7777198
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[(1S)-1,2-dimethoxyethyl] 4-methoxybenzoate
CID 125479255
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-aminobenzoate
CID 51980322
[4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate
CID 163496944
(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate
CID 144581628
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
2-(4-methoxybenzoyl)oxybutanoic acid
CID 126720866
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 7540141

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl 4-methoxybenzoate?
The IUPAC name of 1-hydroxyethyl 4-methoxybenzoate (CID 67719638) is 1-hydroxyethyl 4-methoxybenzoate.
What is the SMILES notation for 1-hydroxyethyl 4-methoxybenzoate?
The canonical SMILES for 1-hydroxyethyl 4-methoxybenzoate is COc1ccc(C(=O)OC(C)O)cc1.
What is the InChIKey of 1-hydroxyethyl 4-methoxybenzoate?
The InChIKey is KCEABMOHBXZMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7(11)14-10(12)8-3-5-9(13-2)6-4-8/h3-7,11H,1-2H3.
What are the key properties of 1-hydroxyethyl 4-methoxybenzoate?
1-hydroxyethyl 4-methoxybenzoate has a molecular weight of 196.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl 4-methoxybenzoate is sourced from PubChem (CID 67719638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).