methyl 3-(phenoxazin-10-ylmethyl)benzoate

C21H17NO3 — CID 19024789

IUPACmethyl 3-(phenoxazin-10-ylmethyl)benzoate
SMILESCOC(=O)c1cccc(CN2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C21H17NO3/c1-24-21(23)16-8-6-7-15(13-16)14-22-17-9-2-4-11-19(17)25-20-12-5-3-10-18(20)22/h2-13H,14H2,1H3
InChIKeyPKCIFTHXASWEJJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.92
Rot. Bonds3

About methyl 3-(phenoxazin-10-ylmethyl)benzoate

methyl 3-(phenoxazin-10-ylmethyl)benzoate (PubChem CID 19024789) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 3-(phenoxazin-10-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(phenoxazin-10-ylmethyl)benzoate
PubChem CID19024789
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl 3-(phenoxazin-10-ylmethyl)benzoate
SMILESCOC(=O)c1cccc(CN2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C21H17NO3/c1-24-21(23)16-8-6-7-15(13-16)14-22-17-9-2-4-11-19(17)25-20-12-5-3-10-18(20)22/h2-13H,14H2,1H3
InChIKeyPKCIFTHXASWEJJ-UHFFFAOYSA-N
XLogP4.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(phenoxazin-10-ylmethyl)benzoate 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

1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone
CID 19024790
methyl 3-[(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411196
methyl 3-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]benzoate
CID 25387050
methyl 3-[[3-(2-methyl-1-phenylpropylidene)-2-oxoindol-1-yl]methyl]benzoate
CID 75602563
propyl 3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411234
methyl 3-[[3-(3,3-dimethyl-1-phenylbutylidene)-2-oxoindol-1-yl]methyl]benzoate
CID 75602092
methyl 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 17047028
methyl 3-[(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate
CID 3809599
methyl 3-propylbenzoate
CID 12861009
methyl 3-[[3-(4-methyl-1-phenylpentylidene)-2-oxoindol-1-yl]methyl]benzoate
CID 75602058
methyl 3-[(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 126471940
methyl 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoate
CID 1266769

Frequently Asked Questions

What is the IUPAC name of methyl 3-(phenoxazin-10-ylmethyl)benzoate?
The IUPAC name of methyl 3-(phenoxazin-10-ylmethyl)benzoate (CID 19024789) is methyl 3-(phenoxazin-10-ylmethyl)benzoate.
What is the SMILES notation for methyl 3-(phenoxazin-10-ylmethyl)benzoate?
The canonical SMILES for methyl 3-(phenoxazin-10-ylmethyl)benzoate is COC(=O)c1cccc(CN2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of methyl 3-(phenoxazin-10-ylmethyl)benzoate?
The InChIKey is PKCIFTHXASWEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-21(23)16-8-6-7-15(13-16)14-22-17-9-2-4-11-19(17)25-20-12-5-3-10-18(20)22/h2-13H,14H2,1H3.
What are the key properties of methyl 3-(phenoxazin-10-ylmethyl)benzoate?
methyl 3-(phenoxazin-10-ylmethyl)benzoate has a molecular weight of 331.37 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(phenoxazin-10-ylmethyl)benzoate is sourced from PubChem (CID 19024789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).