(10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C35H38O9S — CID 71028144

IUPAC(10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCOc1ccc(CS(=O)(=O)C2c3cc(OC)cc(OC)c3[C@@H](c3ccc(OC)c(OC)c3)Cc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C35H38O9S/c1-38-24-11-8-21(9-12-24)20-45(36,37)35-28-17-26(40-3)19-32(44-7)34(28)27(22-10-13-29(41-4)30(16-22)42-5)15-23-14-25(39-2)18-31(43-6)33(23)35/h8-14,16-19,27,35H,15,20H2,1-7H3/t27-,35?/m1/s1
InChIKeyQWSSPHZKGFOHOF-SDTLAYBJSA-N
MW634.75 g/mol
LogP6.14
Rot. Bonds11

About (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

(10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 71028144) has the molecular formula C35H38O9S and a molecular weight of 634.75 g/mol. Its IUPAC name is (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name(10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID71028144
Molecular FormulaC35H38O9S
Molecular Weight634.75 g/mol
Exact Mass634.22
IUPAC Name(10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCOc1ccc(CS(=O)(=O)C2c3cc(OC)cc(OC)c3[C@@H](c3ccc(OC)c(OC)c3)Cc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C35H38O9S/c1-38-24-11-8-21(9-12-24)20-45(36,37)35-28-17-26(40-3)19-32(44-7)34(28)27(22-10-13-29(41-4)30(16-22)42-5)15-23-14-25(39-2)18-31(43-6)33(23)35/h8-14,16-19,27,35H,15,20H2,1-7H3/t27-,35?/m1/s1
InChIKeyQWSSPHZKGFOHOF-SDTLAYBJSA-N
XLogP6.14
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.75
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene with MolForge

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Related Compounds

4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 71028015
[5-(5,7-dimethoxy-2-oxo-3,4-dihydrochromen-4-yl)-2-methoxyphenyl] acetate
CID 11530842
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
azane;7-(3,4-dimethoxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 67741976
(2S,10S)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-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-ol
CID 57413227
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 71712574
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 132569592

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 71028144) is (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is COc1ccc(CS(=O)(=O)C2c3cc(OC)cc(OC)c3[C@@H](c3ccc(OC)c(OC)c3)Cc3cc(OC)cc(OC)c32)cc1.
What is the InChIKey of (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is QWSSPHZKGFOHOF-SDTLAYBJSA-N. The full InChI is InChI=1S/C35H38O9S/c1-38-24-11-8-21(9-12-24)20-45(36,37)35-28-17-26(40-3)19-32(44-7)34(28)27(22-10-13-29(41-4)30(16-22)42-5)15-23-14-25(39-2)18-31(43-6)33(23)35/h8-14,16-19,27,35H,15,20H2,1-7H3/t27-,35?/m1/s1.
What are the key properties of (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
(10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 634.75 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 71028144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).