3-(3-chlorophenothiazin-10-yl)propan-1-ol

C15H14ClNOS — CID 163458253

IUPAC3-(3-chlorophenothiazin-10-yl)propan-1-ol
SMILESOCCCN1c2ccccc2Sc2cc(Cl)ccc21
InChIInChI=1S/C15H14ClNOS/c16-11-6-7-13-15(10-11)19-14-5-2-1-4-12(14)17(13)8-3-9-18/h1-2,4-7,10,18H,3,8-9H2
InChIKeyBMIXDTZWFJHPMQ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.33
Rot. Bonds3

About 3-(3-chlorophenothiazin-10-yl)propan-1-ol

3-(3-chlorophenothiazin-10-yl)propan-1-ol (PubChem CID 163458253) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-(3-chlorophenothiazin-10-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenothiazin-10-yl)propan-1-ol
PubChem CID163458253
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name3-(3-chlorophenothiazin-10-yl)propan-1-ol
SMILESOCCCN1c2ccccc2Sc2cc(Cl)ccc21
InChIInChI=1S/C15H14ClNOS/c16-11-6-7-13-15(10-11)19-14-5-2-1-4-12(14)17(13)8-3-9-18/h1-2,4-7,10,18H,3,8-9H2
InChIKeyBMIXDTZWFJHPMQ-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-sulfanylphenothiazin-10-yl)propan-1-ol
CID 143629094
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
3-phenothiazin-10-ylpropan-1-amine
CID 11079240
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;10H-phenothiazine
CID 18787839
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
CID 4109407
1-(2-chloroethyl)-3-[4-(2-chlorophenothiazin-10-yl)butyl]urea
CID 57394228
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
10-octyl-3-(10-octylphenothiazin-3-yl)phenothiazine
CID 102519325
3-bromo-10-butylphenothiazine
CID 118645925
10-butylphenothiazine;propane
CID 177020956
10-(4-bromobutyl)phenothiazine
CID 14549797

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenothiazin-10-yl)propan-1-ol?
The IUPAC name of 3-(3-chlorophenothiazin-10-yl)propan-1-ol (CID 163458253) is 3-(3-chlorophenothiazin-10-yl)propan-1-ol.
What is the SMILES notation for 3-(3-chlorophenothiazin-10-yl)propan-1-ol?
The canonical SMILES for 3-(3-chlorophenothiazin-10-yl)propan-1-ol is OCCCN1c2ccccc2Sc2cc(Cl)ccc21.
What is the InChIKey of 3-(3-chlorophenothiazin-10-yl)propan-1-ol?
The InChIKey is BMIXDTZWFJHPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-11-6-7-13-15(10-11)19-14-5-2-1-4-12(14)17(13)8-3-9-18/h1-2,4-7,10,18H,3,8-9H2.
What are the key properties of 3-(3-chlorophenothiazin-10-yl)propan-1-ol?
3-(3-chlorophenothiazin-10-yl)propan-1-ol has a molecular weight of 291.80 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenothiazin-10-yl)propan-1-ol is sourced from PubChem (CID 163458253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).