2-(3-phenothiazin-10-ylphenyl)ethanol

C20H17NOS — CID 144772193

IUPAC2-(3-phenothiazin-10-ylphenyl)ethanol
SMILESOCCc1cccc(N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H17NOS/c22-13-12-15-6-5-7-16(14-15)21-17-8-1-3-10-19(17)23-20-11-4-2-9-18(20)21/h1-11,14,22H,12-13H2
InChIKeyNOOHRLLLCUNOHF-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.16
Rot. Bonds3

About 2-(3-phenothiazin-10-ylphenyl)ethanol

2-(3-phenothiazin-10-ylphenyl)ethanol (PubChem CID 144772193) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(3-phenothiazin-10-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-phenothiazin-10-ylphenyl)ethanol
PubChem CID144772193
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC Name2-(3-phenothiazin-10-ylphenyl)ethanol
SMILESOCCc1cccc(N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H17NOS/c22-13-12-15-6-5-7-16(14-15)21-17-8-1-3-10-19(17)23-20-11-4-2-9-18(20)21/h1-11,14,22H,12-13H2
InChIKeyNOOHRLLLCUNOHF-UHFFFAOYSA-N
XLogP5.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

perchloric acid;10-phenylphenothiazine
CID 71365783
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
(3-benzo[b][1]benzazepin-11-ylphenyl)methanol
CID 139983919
2-(3-thianthren-5-ium-5-ylphenyl)ethanol
CID 58939678
10-(4-butylphenyl)phenothiazine
CID 22381652
10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
CID 118303730
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione
CID 90079550
4-(3-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
CID 146542786
2-(3-morpholin-4-ylphenyl)ethanol
CID 11788996
10-[3-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]phenyl]phenothiazine
CID 170402986
3-tert-butyl-10-phenylphenothiazine
CID 134252291

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenothiazin-10-ylphenyl)ethanol?
The IUPAC name of 2-(3-phenothiazin-10-ylphenyl)ethanol (CID 144772193) is 2-(3-phenothiazin-10-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-phenothiazin-10-ylphenyl)ethanol?
The canonical SMILES for 2-(3-phenothiazin-10-ylphenyl)ethanol is OCCc1cccc(N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 2-(3-phenothiazin-10-ylphenyl)ethanol?
The InChIKey is NOOHRLLLCUNOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c22-13-12-15-6-5-7-16(14-15)21-17-8-1-3-10-19(17)23-20-11-4-2-9-18(20)21/h1-11,14,22H,12-13H2.
What are the key properties of 2-(3-phenothiazin-10-ylphenyl)ethanol?
2-(3-phenothiazin-10-ylphenyl)ethanol has a molecular weight of 319.43 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenothiazin-10-ylphenyl)ethanol is sourced from PubChem (CID 144772193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).