(5-amino-4-chloro-2-methylphenyl) ethyl carbonate

C10H12ClNO3 — CID 46856388

IUPAC(5-amino-4-chloro-2-methylphenyl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(N)c(Cl)cc1C
InChIInChI=1S/C10H12ClNO3/c1-3-14-10(13)15-9-5-8(12)7(11)4-6(9)2/h4-5H,3,12H2,1-2H3
InChIKeyOUVLLFXUJXYMCI-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.77
Rot. Bonds2

About (5-amino-4-chloro-2-methylphenyl) ethyl carbonate

(5-amino-4-chloro-2-methylphenyl) ethyl carbonate (PubChem CID 46856388) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (5-amino-4-chloro-2-methylphenyl) ethyl carbonate.

Molecular Properties

Compound Name(5-amino-4-chloro-2-methylphenyl) ethyl carbonate
PubChem CID46856388
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(5-amino-4-chloro-2-methylphenyl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(N)c(Cl)cc1C
InChIInChI=1S/C10H12ClNO3/c1-3-14-10(13)15-9-5-8(12)7(11)4-6(9)2/h4-5H,3,12H2,1-2H3
InChIKeyOUVLLFXUJXYMCI-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2,3,4-trifluorophenyl) ethyl carbonate
CID 86749657
(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate
CID 22363959
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
2-chloro-4,5-dimethylaniline
CID 53416768
(3-ethoxycarbonyloxy-5,8-dioxonaphthalen-2-yl) ethyl carbonate
CID 70348479
(4-chloro-2-fluoro-5-nitrophenyl) ethyl carbonate
CID 154694360
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
4-butoxy-2-chloro-5-methylaniline
CID 115555294
(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
CID 91694190
ethyl 3,4-bis(ethoxycarbonyloxy)benzoate
CID 166550194
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-chloro-2-methylphenyl) ethyl carbonate?
The IUPAC name of (5-amino-4-chloro-2-methylphenyl) ethyl carbonate (CID 46856388) is (5-amino-4-chloro-2-methylphenyl) ethyl carbonate.
What is the SMILES notation for (5-amino-4-chloro-2-methylphenyl) ethyl carbonate?
The canonical SMILES for (5-amino-4-chloro-2-methylphenyl) ethyl carbonate is CCOC(=O)Oc1cc(N)c(Cl)cc1C.
What is the InChIKey of (5-amino-4-chloro-2-methylphenyl) ethyl carbonate?
The InChIKey is OUVLLFXUJXYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-3-14-10(13)15-9-5-8(12)7(11)4-6(9)2/h4-5H,3,12H2,1-2H3.
What are the key properties of (5-amino-4-chloro-2-methylphenyl) ethyl carbonate?
(5-amino-4-chloro-2-methylphenyl) ethyl carbonate has a molecular weight of 229.66 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-chloro-2-methylphenyl) ethyl carbonate is sourced from PubChem (CID 46856388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).