10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine

C20H16FNOS — CID 134150356

IUPAC10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine
SMILESCOc1ccc(CN2c3ccccc3Sc3ccccc32)cc1F
InChIInChI=1S/C20H16FNOS/c1-23-18-11-10-14(12-15(18)21)13-22-16-6-2-4-8-19(16)24-20-9-5-3-7-17(20)22/h2-12H,13H2,1H3
InChIKeyVUORHFSCOSCKAG-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.64
Rot. Bonds3

About 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine

10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine (PubChem CID 134150356) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine.

Molecular Properties

Compound Name10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine
PubChem CID134150356
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC Name10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine
SMILESCOc1ccc(CN2c3ccccc3Sc3ccccc32)cc1F
InChIInChI=1S/C20H16FNOS/c1-23-18-11-10-14(12-15(18)21)13-22-16-6-2-4-8-19(16)24-20-9-5-3-7-17(20)22/h2-12H,13H2,1H3
InChIKeyVUORHFSCOSCKAG-UHFFFAOYSA-N
XLogP5.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenothiazine, 3-methoxy-10-((1-methyl-3-piperidyl)methyl)-
CID 3064149
o-tolyl 10H-phenothiazine-10-carboxylate
CID 24905592
p-tolyl 10H-phenothiazine-10-carboxylate
CID 24905594
2-[1-(4-fluoro-3-methoxyphenyl)ethyl]-10H-phenothiazine
CID 141531528
10-(4-Methoxyphenyl)-10H-phenothiazine
CID 21680087
m-tolyl 10H-phenothiazine-10-carboxylate
CID 24905593
(3-Fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 71517521
(2-Fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 127053173
10-[(2-Fluoro-4-methoxyphenyl)methyl]phenothiazine
CID 132580699
2-Methoxy-5-(phenothiazin-10-ylmethyl)phenol
CID 134137948
10-[[4-Methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine
CID 134140942
2-[1-(4-methoxyphenyl)ethenyl]-10H-phenothiazine
CID 168292157

Frequently Asked Questions

What is the IUPAC name of 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine?
The IUPAC name of 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine (CID 134150356) is 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine.
What is the SMILES notation for 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine?
The canonical SMILES for 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine is COc1ccc(CN2c3ccccc3Sc3ccccc32)cc1F.
What is the InChIKey of 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine?
The InChIKey is VUORHFSCOSCKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNOS/c1-23-18-11-10-14(12-15(18)21)13-22-16-6-2-4-8-19(16)24-20-9-5-3-7-17(20)22/h2-12H,13H2,1H3.
What are the key properties of 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine?
10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine has a molecular weight of 337.42 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluoro-4-methoxyphenyl)methyl]phenothiazine is sourced from PubChem (CID 134150356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).