(5-chloro-2-methoxyphenyl) methyl carbonate

C9H9ClO4 — CID 170342081

IUPAC(5-chloro-2-methoxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1cc(Cl)ccc1OC
InChIInChI=1S/C9H9ClO4/c1-12-7-4-3-6(10)5-8(7)14-9(11)13-2/h3-5H,1-2H3
InChIKeyMUSUDXWICCOSAL-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.49
Rot. Bonds2

About (5-chloro-2-methoxyphenyl) methyl carbonate

(5-chloro-2-methoxyphenyl) methyl carbonate (PubChem CID 170342081) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl) methyl carbonate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl) methyl carbonate
PubChem CID170342081
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Name(5-chloro-2-methoxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1cc(Cl)ccc1OC
InChIInChI=1S/C9H9ClO4/c1-12-7-4-3-6(10)5-8(7)14-9(11)13-2/h3-5H,1-2H3
InChIKeyMUSUDXWICCOSAL-UHFFFAOYSA-N
XLogP2.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-chloro-2-methoxyphenyl) methyl 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

(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
4-chloro-2-methoxybenzamide
CID 19741766
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
2-chloro-2-(5-chloro-2-methoxyphenyl)acetamide
CID 138607352
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
5-chloro-2-methoxybenzoate
CID 6933314
(4-chloro-2-methoxyphenyl) 4-(4-chloro-2-methoxyphenoxy)butanoate
CID 14661643
4-(4-methoxy-3-methoxycarbonyloxyphenyl)-4-oxobutanoic acid
CID 168859769

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl) methyl carbonate?
The IUPAC name of (5-chloro-2-methoxyphenyl) methyl carbonate (CID 170342081) is (5-chloro-2-methoxyphenyl) methyl carbonate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl) methyl carbonate?
The canonical SMILES for (5-chloro-2-methoxyphenyl) methyl carbonate is COC(=O)Oc1cc(Cl)ccc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl) methyl carbonate?
The InChIKey is MUSUDXWICCOSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c1-12-7-4-3-6(10)5-8(7)14-9(11)13-2/h3-5H,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl) methyl carbonate?
(5-chloro-2-methoxyphenyl) methyl carbonate has a molecular weight of 216.62 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl) methyl carbonate is sourced from PubChem (CID 170342081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).