(4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol

C10H11ClO4S — CID 141046569

IUPAC(4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
SMILESCOc1cc(Cl)cc2c1S(=O)(=O)CC[C@H]2O
InChIInChI=1S/C10H11ClO4S/c1-15-9-5-6(11)4-7-8(12)2-3-16(13,14)10(7)9/h4-5,8,12H,2-3H2,1H3/t8-/m1/s1
InChIKeyDROISUSCWBLVDJ-MRVPVSSYSA-N
MW262.71 g/mol
LogP1.56
Rot. Bonds1

About (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol

(4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 141046569) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID141046569
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name(4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
SMILESCOc1cc(Cl)cc2c1S(=O)(=O)CC[C@H]2O
InChIInChI=1S/C10H11ClO4S/c1-15-9-5-6(11)4-7-8(12)2-3-16(13,14)10(7)9/h4-5,8,12H,2-3H2,1H3/t8-/m1/s1
InChIKeyDROISUSCWBLVDJ-MRVPVSSYSA-N
XLogP1.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol with MolForge

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Related Compounds

6-chloro-4-hydroxy-8-methoxy-1,1-dioxo-2,3-dihydrothiochromene-4-carboxylic acid
CID 22731981
1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466954
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132
cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125
5-(2,5-dichloro-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117468457
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
4-chloro-2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-6-methoxyphenol
CID 104637884
2-(2,5-dichloro-3-methoxyphenyl)acetic acid
CID 54236856
(2R,7S)-2-(5-chloro-2-hydroxy-3-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 7287927
6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636425

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol (CID 141046569) is (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol is COc1cc(Cl)cc2c1S(=O)(=O)CC[C@H]2O.
What is the InChIKey of (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is DROISUSCWBLVDJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-15-9-5-6(11)4-7-8(12)2-3-16(13,14)10(7)9/h4-5,8,12H,2-3H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
(4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 262.71 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-8-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 141046569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).