(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

C36H40O6S — CID 118516212

IUPAC(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
SMILESCOc1cc(OC)cc([C@@H]2C(SCc3ccc(C)c(OC)c3)c3cc(C)cc(OC)c3[C@H]2c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C36H40O6S/c1-21-13-28-35(32(14-21)42-8)33(24-11-12-29(39-5)31(18-24)41-7)34(25-16-26(37-3)19-27(17-25)38-4)36(28)43-20-23-10-9-22(2)30(15-23)40-6/h9-19,33-34,36H,20H2,1-8H3/t33-,34-,36?/m0/s1
InChIKeyRURHJUUKSWJXFL-AFLWYUAHSA-N
MW600.78 g/mol
LogP8.26
Rot. Bonds11

About (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

(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 (PubChem CID 118516212) has the molecular formula C36H40O6S and a molecular weight of 600.78 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID118516212
Molecular FormulaC36H40O6S
Molecular Weight600.78 g/mol
Exact Mass600.25
IUPAC Name(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
SMILESCOc1cc(OC)cc([C@@H]2C(SCc3ccc(C)c(OC)c3)c3cc(C)cc(OC)c3[C@H]2c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C36H40O6S/c1-21-13-28-35(32(14-21)42-8)33(24-11-12-29(39-5)31(18-24)41-7)34(25-16-26(37-3)19-27(17-25)38-4)36(28)43-20-23-10-9-22(2)30(15-23)40-6/h9-19,33-34,36H,20H2,1-8H3/t33-,34-,36?/m0/s1
InChIKeyRURHJUUKSWJXFL-AFLWYUAHSA-N
XLogP8.26
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.78
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene
CID 53355287
(2S,3S)-3-(3,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 71028102
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
1,2-dimethoxy-4-(methylsulfanylmethyl)benzene
CID 12637716
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one
CID 20608911
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde
CID 59611719
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
CID 11303039
CID 11303039
(1R,3aS,4R,8bS)-1-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan
CID 10673588
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(OC)cc([C@@H]2C(SCc3ccc(C)c(OC)c3)c3cc(C)cc(OC)c3[C@H]2c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of (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?
The InChIKey is RURHJUUKSWJXFL-AFLWYUAHSA-N. The full InChI is InChI=1S/C36H40O6S/c1-21-13-28-35(32(14-21)42-8)33(24-11-12-29(39-5)31(18-24)41-7)34(25-16-26(37-3)19-27(17-25)38-4)36(28)43-20-23-10-9-22(2)30(15-23)40-6/h9-19,33-34,36H,20H2,1-8H3/t33-,34-,36?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 600.78 g/mol, XLogP of 8.26, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 118516212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).