(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene

C34H36O6S — CID 53355287

IUPAC(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(CSC2c3cc(OC)cc(OC)c3[C@H](c3ccc(OC)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C34H36O6S/c1-35-24-11-7-21(8-12-24)20-41-34-29-18-28(39-5)19-30(40-6)33(29)31(22-9-13-25(36-2)14-10-22)32(34)23-15-26(37-3)17-27(16-23)38-4/h7-19,31-32,34H,20H2,1-6H3/t31-,32-,34?/m1/s1
InChIKeyVPHAEYSHJYOGKV-OLPGJYTKSA-N
MW572.72 g/mol
LogP7.64
Rot. Bonds11

About (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene

(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene (PubChem CID 53355287) has the molecular formula C34H36O6S and a molecular weight of 572.72 g/mol. Its IUPAC name is (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene
PubChem CID53355287
Molecular FormulaC34H36O6S
Molecular Weight572.72 g/mol
Exact Mass572.22
IUPAC Name(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(CSC2c3cc(OC)cc(OC)c3[C@H](c3ccc(OC)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C34H36O6S/c1-35-24-11-7-21(8-12-24)20-41-34-29-18-28(39-5)19-30(40-6)33(29)31(22-9-13-25(36-2)14-10-22)32(34)23-15-26(37-3)17-27(16-23)38-4/h7-19,31-32,34H,20H2,1-6H3/t31-,32-,34?/m1/s1
InChIKeyVPHAEYSHJYOGKV-OLPGJYTKSA-N
XLogP7.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.72
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R)-3-(3,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-4-methoxy-1-[(3-methoxy-4-methylphenyl)methylsulfanyl]-6-methyl-2,3-dihydro-1H-indene
CID 118516212
(1S,2S,3S)-1-chloro-3-(3,5-dimethoxyphenyl)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 89202386
4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde
CID 59611719
[(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol
CID 71726818
(1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene
CID 71654199
(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-phenylmethoxyphenyl)-2,3-dihydroinden-1-one
CID 127031316
9-bromo-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 118516367
(1R,2S)-4-bromo-2-(2-bromo-3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydroindene
CID 90699178
1,3,6,8-tetramethoxy-5,10-bis(4-methoxyphenyl)-5,10-dihydroindeno[2,1-a]indene
CID 102287735
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan
CID 57342578
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene?
The IUPAC name of (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene (CID 53355287) is (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene?
The canonical SMILES for (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene is COc1ccc(CSC2c3cc(OC)cc(OC)c3[C@H](c3ccc(OC)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene?
The InChIKey is VPHAEYSHJYOGKV-OLPGJYTKSA-N. The full InChI is InChI=1S/C34H36O6S/c1-35-24-11-7-21(8-12-24)20-41-34-29-18-28(39-5)19-30(40-6)33(29)31(22-9-13-25(36-2)14-10-22)32(34)23-15-26(37-3)17-27(16-23)38-4/h7-19,31-32,34H,20H2,1-6H3/t31-,32-,34?/m1/s1.
What are the key properties of (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene?
(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene has a molecular weight of 572.72 g/mol, XLogP of 7.64, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 53355287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).