(3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone

C20H15NO3S — CID 53309278

IUPAC(3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1O
InChIInChI=1S/C20H15NO3S/c1-24-17-11-10-13(12-16(17)22)20(23)21-14-6-2-4-8-18(14)25-19-9-5-3-7-15(19)21/h2-12,22H,1H3
InChIKeyDUNZPNNWHYGIKJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.84
Rot. Bonds2

About (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone

(3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone (PubChem CID 53309278) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone
PubChem CID53309278
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name(3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1O
InChIInChI=1S/C20H15NO3S/c1-24-17-11-10-13(12-16(17)22)20(23)21-14-6-2-4-8-18(14)25-19-9-5-3-7-15(19)21/h2-12,22H,1H3
InChIKeyDUNZPNNWHYGIKJ-UHFFFAOYSA-N
XLogP4.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone (CID 53309278) is (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone is COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1O.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is DUNZPNNWHYGIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-24-17-11-10-13(12-16(17)22)20(23)21-14-6-2-4-8-18(14)25-19-9-5-3-7-15(19)21/h2-12,22H,1H3.
What are the key properties of (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone?
(3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 53309278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).