2-methoxy-5-(phenothiazin-10-ylmethyl)phenol

C20H17NO2S — CID 134137948

IUPAC2-methoxy-5-(phenothiazin-10-ylmethyl)phenol
SMILESCOc1ccc(CN2c3ccccc3Sc3ccccc32)cc1O
InChIInChI=1S/C20H17NO2S/c1-23-18-11-10-14(12-17(18)22)13-21-15-6-2-4-8-19(15)24-20-9-5-3-7-16(20)21/h2-12,22H,13H2,1H3
InChIKeyFRTSQHXZCSVXNK-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.20
Rot. Bonds3

About 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol

2-methoxy-5-(phenothiazin-10-ylmethyl)phenol (PubChem CID 134137948) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(phenothiazin-10-ylmethyl)phenol
PubChem CID134137948
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name2-methoxy-5-(phenothiazin-10-ylmethyl)phenol
SMILESCOc1ccc(CN2c3ccccc3Sc3ccccc32)cc1O
InChIInChI=1S/C20H17NO2S/c1-23-18-11-10-14(12-17(18)22)13-21-15-6-2-4-8-19(15)24-20-9-5-3-7-16(20)21/h2-12,22H,13H2,1H3
InChIKeyFRTSQHXZCSVXNK-UHFFFAOYSA-N
XLogP5.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-4-[[2-(methylthio)anilino]methyl]phenol
CID 784359
(3-Hydroxy-4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 53309278
10-[(2-Fluoro-4-methoxyphenyl)methyl]phenothiazine
CID 132580699
10-[[4-Methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine
CID 134140942
10-[(3-Fluoro-4-methoxyphenyl)methyl]phenothiazine
CID 134150356
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenothiazin-10-ylprop-1-yn-1-amine
CID 44561458
3-(2-chlorophenothiazin-10-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 54403194
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-3-phenothiazin-10-ylpropan-1-amine
CID 137527041
(3,4-Dimethoxybenzyl)[2-(methylthio)phenyl]amine
CID 784036
Cambridge id 5458302
CID 784242
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenothiazin-10-ylpropan-1-one
CID 2098246
3-(2-chlorophenothiazin-10-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-1-yn-1-amine
CID 44561535

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol?
The IUPAC name of 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol (CID 134137948) is 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol is COc1ccc(CN2c3ccccc3Sc3ccccc32)cc1O.
What is the InChIKey of 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol?
The InChIKey is FRTSQHXZCSVXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-23-18-11-10-14(12-17(18)22)13-21-15-6-2-4-8-19(15)24-20-9-5-3-7-16(20)21/h2-12,22H,13H2,1H3.
What are the key properties of 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol?
2-methoxy-5-(phenothiazin-10-ylmethyl)phenol has a molecular weight of 335.43 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(phenothiazin-10-ylmethyl)phenol is sourced from PubChem (CID 134137948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).