(3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium

C20H14ClO3S+ — CID 144964173

IUPAC(3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium
SMILESCOC(=O)c1ccc([ClH+])cc1Oc1cccc2c1sc1ccccc12
InChIInChI=1S/C20H14ClO3S/c1-23-20(22)15-10-9-12(21)11-17(15)24-16-7-4-6-14-13-5-2-3-8-18(13)25-19(14)16/h2-11,21H,1H3/q+1
InChIKeyILUMTSQXTOXBMV-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.33
Rot. Bonds3

About (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium

(3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium (PubChem CID 144964173) has the molecular formula C20H14ClO3S+ and a molecular weight of 369.85 g/mol. Its IUPAC name is (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium.

Molecular Properties

Compound Name(3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium
PubChem CID144964173
Molecular FormulaC20H14ClO3S+
Molecular Weight369.85 g/mol
Exact Mass369.03
IUPAC Name(3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium
SMILESCOC(=O)c1ccc([ClH+])cc1Oc1cccc2c1sc1ccccc12
InChIInChI=1S/C20H14ClO3S/c1-23-20(22)15-10-9-12(21)11-17(15)24-16-7-4-6-14-13-5-2-3-8-18(13)25-19(14)16/h2-11,21H,1H3/q+1
InChIKeyILUMTSQXTOXBMV-UHFFFAOYSA-N
XLogP5.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate
CID 171488663
methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate
CID 141476210
methyl 3-dibenzothiophen-4-yl-1H-indole-2-carboxylate
CID 25022416
methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
CID 10612292
dimethyl 3-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzene-1,2-dicarboxylate
CID 66906475
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
tert-butyl N-dibenzothiophen-4-ylcarbamate
CID 10946489
(2-methoxycarbonylnaphthalen-1-yl)boronic acid
CID 155682723
methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
CID 67227707
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
ethane;methyl 2-methoxybenzoate
CID 178037044

Frequently Asked Questions

What is the IUPAC name of (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium?
The IUPAC name of (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium (CID 144964173) is (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium.
What is the SMILES notation for (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium?
The canonical SMILES for (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium is COC(=O)c1ccc([ClH+])cc1Oc1cccc2c1sc1ccccc12.
What is the InChIKey of (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium?
The InChIKey is ILUMTSQXTOXBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClO3S/c1-23-20(22)15-10-9-12(21)11-17(15)24-16-7-4-6-14-13-5-2-3-8-18(13)25-19(14)16/h2-11,21H,1H3/q+1.
What are the key properties of (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium?
(3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium has a molecular weight of 369.85 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium is sourced from PubChem (CID 144964173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).