[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate

C20H15Cl2NO4 — CID 23196073

IUPAC[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate
SMILESO=C(OCc1ccc(Cl)cc1)Oc1ncccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2NO4/c21-16-7-3-14(4-8-16)12-25-18-2-1-11-23-19(18)27-20(24)26-13-15-5-9-17(22)10-6-15/h1-11H,12-13H2
InChIKeyMYMHGCDVECQOIT-UHFFFAOYSA-N
MW404.25 g/mol
LogP5.68
Rot. Bonds6

About [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate

[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate (PubChem CID 23196073) has the molecular formula C20H15Cl2NO4 and a molecular weight of 404.25 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate
PubChem CID23196073
Molecular FormulaC20H15Cl2NO4
Molecular Weight404.25 g/mol
Exact Mass403.04
IUPAC Name[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate
SMILESO=C(OCc1ccc(Cl)cc1)Oc1ncccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2NO4/c21-16-7-3-14(4-8-16)12-25-18-2-1-11-23-19(18)27-20(24)26-13-15-5-9-17(22)10-6-15/h1-11H,12-13H2
InChIKeyMYMHGCDVECQOIT-UHFFFAOYSA-N
XLogP5.68
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.25
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 22363219
2-[(4-chlorophenyl)methoxy]pyridine-3-carbothioamide
CID 65126643
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea
CID 142715637
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
benzyl (3-chloro-5-phenylmethoxycarbonyloxy-2-pyridinyl) carbonate
CID 22363155
(4-chlorophenyl)methyl 2-(2-chlorophenoxy)acetate
CID 2378588
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
CID 107341908
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate?
The IUPAC name of [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate (CID 23196073) is [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate.
What is the SMILES notation for [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate?
The canonical SMILES for [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate is O=C(OCc1ccc(Cl)cc1)Oc1ncccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate?
The InChIKey is MYMHGCDVECQOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO4/c21-16-7-3-14(4-8-16)12-25-18-2-1-11-23-19(18)27-20(24)26-13-15-5-9-17(22)10-6-15/h1-11H,12-13H2.
What are the key properties of [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate?
[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate has a molecular weight of 404.25 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate is sourced from PubChem (CID 23196073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).