(4-chlorophenyl)methyl phenoxazine-10-carboxylate

C20H14ClNO3 — CID 71462708

IUPAC(4-chlorophenyl)methyl phenoxazine-10-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H14ClNO3/c21-15-11-9-14(10-12-15)13-24-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2
InChIKeyCBWFJPNFHCSVKP-UHFFFAOYSA-N
MW351.79 g/mol
LogP5.92
Rot. Bonds2

About (4-chlorophenyl)methyl phenoxazine-10-carboxylate

(4-chlorophenyl)methyl phenoxazine-10-carboxylate (PubChem CID 71462708) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is (4-chlorophenyl)methyl phenoxazine-10-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl phenoxazine-10-carboxylate
PubChem CID71462708
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name(4-chlorophenyl)methyl phenoxazine-10-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H14ClNO3/c21-15-11-9-14(10-12-15)13-24-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2
InChIKeyCBWFJPNFHCSVKP-UHFFFAOYSA-N
XLogP5.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.79
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl phenoxazine-10-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl phenoxazine-10-carboxylate (CID 71462708) is (4-chlorophenyl)methyl phenoxazine-10-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl phenoxazine-10-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl phenoxazine-10-carboxylate is O=C(OCc1ccc(Cl)cc1)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of (4-chlorophenyl)methyl phenoxazine-10-carboxylate?
The InChIKey is CBWFJPNFHCSVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-15-11-9-14(10-12-15)13-24-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2.
What are the key properties of (4-chlorophenyl)methyl phenoxazine-10-carboxylate?
(4-chlorophenyl)methyl phenoxazine-10-carboxylate has a molecular weight of 351.79 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl phenoxazine-10-carboxylate is sourced from PubChem (CID 71462708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).