(4-chlorophenyl) 2-hydroxyethyl carbonate

C9H9ClO4 — CID 54130253

IUPAC(4-chlorophenyl) 2-hydroxyethyl carbonate
SMILESO=C(OCCO)Oc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO4/c10-7-1-3-8(4-2-7)14-9(12)13-6-5-11/h1-4,11H,5-6H2
InChIKeyHJHQSDCLEZSCKL-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.85
Rot. Bonds3

About (4-chlorophenyl) 2-hydroxyethyl carbonate

(4-chlorophenyl) 2-hydroxyethyl carbonate (PubChem CID 54130253) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is (4-chlorophenyl) 2-hydroxyethyl carbonate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-hydroxyethyl carbonate
PubChem CID54130253
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Name(4-chlorophenyl) 2-hydroxyethyl carbonate
SMILESO=C(OCCO)Oc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO4/c10-7-1-3-8(4-2-7)14-9(12)13-6-5-11/h1-4,11H,5-6H2
InChIKeyHJHQSDCLEZSCKL-UHFFFAOYSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
(4-chlorophenyl) 2,3-dihydroxypropanoate
CID 23616443
[4-(4-chlorobenzoyl)phenyl] 2-[2-hydroxyethyl(methyl)amino]ethyl carbonate;ethane;propane
CID 144982156
4-hydroxybutyl (4-methylphenyl) carbonate
CID 126720991
ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
CID 23213034
(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
CID 164935451
potassium;(4-chlorophenyl) 2-aminoacetate;hydride
CID 174962254
bis[4-[1-(4-chlorophenyl)ethenyl]phenyl] carbonate
CID 141266892
(4-chlorophenyl) acetate
CID 13410
[(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate
CID 58684209
bis(4-chlorophenoxy)methanimine
CID 15716338
2-(4-chlorophenoxy)ethanol;methanesulfonic acid
CID 71365177

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-hydroxyethyl carbonate?
The IUPAC name of (4-chlorophenyl) 2-hydroxyethyl carbonate (CID 54130253) is (4-chlorophenyl) 2-hydroxyethyl carbonate.
What is the SMILES notation for (4-chlorophenyl) 2-hydroxyethyl carbonate?
The canonical SMILES for (4-chlorophenyl) 2-hydroxyethyl carbonate is O=C(OCCO)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-hydroxyethyl carbonate?
The InChIKey is HJHQSDCLEZSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c10-7-1-3-8(4-2-7)14-9(12)13-6-5-11/h1-4,11H,5-6H2.
What are the key properties of (4-chlorophenyl) 2-hydroxyethyl carbonate?
(4-chlorophenyl) 2-hydroxyethyl carbonate has a molecular weight of 216.62 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-hydroxyethyl carbonate is sourced from PubChem (CID 54130253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).