[3-(1-hydroxyethyl)phenyl] acetate

C10H12O3 — CID 11030413

IUPAC[3-(1-hydroxyethyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(C)O)c1
InChIInChI=1S/C10H12O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-7,11H,1-2H3
InChIKeyWRYPOKBPEAMQEQ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.67
Rot. Bonds2

About [3-(1-hydroxyethyl)phenyl] acetate

[3-(1-hydroxyethyl)phenyl] acetate (PubChem CID 11030413) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)phenyl] acetate
PubChem CID11030413
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name[3-(1-hydroxyethyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(C)O)c1
InChIInChI=1S/C10H12O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-7,11H,1-2H3
InChIKeyWRYPOKBPEAMQEQ-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(1-hydroxyethyl)phenyl] 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

(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl] acetate
CID 66511376
[3-[(1S)-1,3-diaminopropyl]phenyl] acetate
CID 171229323
[3-[(1S)-1-amino-3-fluoropropyl]phenyl] acetate;hydrochloride
CID 171229351
[3-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate
CID 101031330
[3-[(1R)-1,3-diaminopropyl]phenyl] acetate;hydrochloride
CID 171209724
1-(3-phenoxyphenyl)ethanol
CID 12882419
[3-(1-hydroxyethyl)phenyl] methanesulfonate
CID 75220208
[3-(3-phenylbut-1-enyl)phenyl] acetate
CID 162347764
methyl (3S)-3-(3-acetyloxyphenyl)-3-amino-2,2-dimethylpropanoate
CID 171249651

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)phenyl] acetate?
The IUPAC name of [3-(1-hydroxyethyl)phenyl] acetate (CID 11030413) is [3-(1-hydroxyethyl)phenyl] acetate.
What is the SMILES notation for [3-(1-hydroxyethyl)phenyl] acetate?
The canonical SMILES for [3-(1-hydroxyethyl)phenyl] acetate is CC(=O)Oc1cccc(C(C)O)c1.
What is the InChIKey of [3-(1-hydroxyethyl)phenyl] acetate?
The InChIKey is WRYPOKBPEAMQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-7,11H,1-2H3.
What are the key properties of [3-(1-hydroxyethyl)phenyl] acetate?
[3-(1-hydroxyethyl)phenyl] acetate has a molecular weight of 180.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)phenyl] acetate is sourced from PubChem (CID 11030413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).