(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate

C11H13ClO4 — CID 91694190

IUPAC(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
SMILESCOCCOC(=O)Oc1ccc(Cl)cc1C
InChIInChI=1S/C11H13ClO4/c1-8-7-9(12)3-4-10(8)16-11(13)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyVHLOVJRSZDARDC-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.81
Rot. Bonds4

About (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate

(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate (PubChem CID 91694190) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
PubChem CID91694190
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
SMILESCOCCOC(=O)Oc1ccc(Cl)cc1C
InChIInChI=1S/C11H13ClO4/c1-8-7-9(12)3-4-10(8)16-11(13)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyVHLOVJRSZDARDC-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate 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

(2,4-dimethylphenyl) 2-methoxyethyl carbonate
CID 118088611
2-O-(4-chloro-2-methylphenyl) 4-O-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 55755697
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
(4-chloro-2-methylphenyl) 3-(4-chlorophenyl)propanoate
CID 19221005
2-(4-chloro-2-methylphenoxy)-4-methoxybut-2-enoic acid
CID 174422255
(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate
CID 118088602
1-O-butyl 5-O-(4-chloro-2-methylphenyl) pentanedioate
CID 91708642
1-O-butyl 3-O-(4-chloro-2-methylphenyl) 2,2-diethylpropanedioate
CID 91708920
5-O-(4-chloro-2-methylphenyl) 1-O-(4-methylpentyl) pentanedioate
CID 91706893
10-O-(4-chloro-2-methylphenyl) 1-O-undecyl decanedioate
CID 91728971
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate?
The IUPAC name of (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate (CID 91694190) is (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate.
What is the SMILES notation for (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate?
The canonical SMILES for (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate is COCCOC(=O)Oc1ccc(Cl)cc1C.
What is the InChIKey of (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate?
The InChIKey is VHLOVJRSZDARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-8-7-9(12)3-4-10(8)16-11(13)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate?
(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate has a molecular weight of 244.67 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl) 2-methoxyethyl carbonate is sourced from PubChem (CID 91694190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).