[2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate

C12H15ClO4 — CID 67713729

IUPAC[2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate
SMILESCC(=O)OCC(OCCO)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClO4/c1-9(15)17-8-12(16-6-5-14)10-3-2-4-11(13)7-10/h2-4,7,12,14H,5-6,8H2,1H3
InChIKeyANZZCGXPARFFBI-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.95
Rot. Bonds6

About [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate

[2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate (PubChem CID 67713729) has the molecular formula C12H15ClO4 and a molecular weight of 258.70 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate
PubChem CID67713729
Molecular FormulaC12H15ClO4
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Name[2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate
SMILESCC(=O)OCC(OCCO)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClO4/c1-9(15)17-8-12(16-6-5-14)10-3-2-4-11(13)7-10/h2-4,7,12,14H,5-6,8H2,1H3
InChIKeyANZZCGXPARFFBI-UHFFFAOYSA-N
XLogP1.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109
methyl (3R)-3-acetyloxy-3-(3-chlorophenyl)propanoate
CID 102599434
2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol
CID 174923221
1-(3-chlorophenyl)-1-ethoxypropan-2-one
CID 83225095
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
CID 104565572
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
propyl 2-(3-chlorophenyl)-2-fluoroacetate
CID 74325018
ethyl 2-[(3-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396786
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate?
The IUPAC name of [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate (CID 67713729) is [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate.
What is the SMILES notation for [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate?
The canonical SMILES for [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate is CC(=O)OCC(OCCO)c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate?
The InChIKey is ANZZCGXPARFFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO4/c1-9(15)17-8-12(16-6-5-14)10-3-2-4-11(13)7-10/h2-4,7,12,14H,5-6,8H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate?
[2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate has a molecular weight of 258.70 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate is sourced from PubChem (CID 67713729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).