7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid

C20H13Cl2NO3 — CID 10110654

IUPAC7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1ccc(Cc3ccc(Cl)c(Cl)c3)cc1O2
InChIInChI=1S/C20H13Cl2NO3/c21-14-6-4-11(9-15(14)22)8-12-5-7-16-18(10-12)26-17-3-1-2-13(20(24)25)19(17)23-16/h1-7,9-10,23H,8H2,(H,24,25)
InChIKeyUFDVSTLREJXHOV-UHFFFAOYSA-N
MW386.23 g/mol
LogP6.13
Rot. Bonds3

About 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid

7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid (PubChem CID 10110654) has the molecular formula C20H13Cl2NO3 and a molecular weight of 386.23 g/mol. Its IUPAC name is 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid.

Molecular Properties

Compound Name7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid
PubChem CID10110654
Molecular FormulaC20H13Cl2NO3
Molecular Weight386.23 g/mol
Exact Mass385.03
IUPAC Name7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1ccc(Cc3ccc(Cl)c(Cl)c3)cc1O2
InChIInChI=1S/C20H13Cl2NO3/c21-14-6-4-11(9-15(14)22)8-12-5-7-16-18(10-12)26-17-3-1-2-13(20(24)25)19(17)23-16/h1-7,9-10,23H,8H2,(H,24,25)
InChIKeyUFDVSTLREJXHOV-UHFFFAOYSA-N
XLogP6.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.23
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid?
The IUPAC name of 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid (CID 10110654) is 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid.
What is the SMILES notation for 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid?
The canonical SMILES for 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid is O=C(O)c1cccc2c1Nc1ccc(Cc3ccc(Cl)c(Cl)c3)cc1O2.
What is the InChIKey of 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid?
The InChIKey is UFDVSTLREJXHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO3/c21-14-6-4-11(9-15(14)22)8-12-5-7-16-18(10-12)26-17-3-1-2-13(20(24)25)19(17)23-16/h1-7,9-10,23H,8H2,(H,24,25).
What are the key properties of 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid?
7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid has a molecular weight of 386.23 g/mol, XLogP of 6.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid is sourced from PubChem (CID 10110654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).