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

C34H34O8S — CID 71028015

IUPAC4,6,12,14-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
SMILESCOc1ccc(CS(=O)(=O)C2c3cc(OC)cc(OC)c3C(c3ccc(OC)cc3)=Cc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C34H34O8S/c1-37-24-11-7-21(8-12-24)20-43(35,36)34-29-17-27(40-4)19-31(42-6)33(29)28(22-9-13-25(38-2)14-10-22)16-23-15-26(39-3)18-30(41-5)32(23)34/h7-19,34H,20H2,1-6H3
InChIKeyBXNFGNXTNACSRV-UHFFFAOYSA-N
MW602.70 g/mol
LogP6.34
Rot. Bonds10

About 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

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 (PubChem CID 71028015) has the molecular formula C34H34O8S and a molecular weight of 602.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,6,12,14-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
PubChem CID71028015
Molecular FormulaC34H34O8S
Molecular Weight602.70 g/mol
Exact Mass602.20
IUPAC Name4,6,12,14-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
SMILESCOc1ccc(CS(=O)(=O)C2c3cc(OC)cc(OC)c3C(c3ccc(OC)cc3)=Cc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C34H34O8S/c1-37-24-11-7-21(8-12-24)20-43(35,36)34-29-17-27(40-4)19-31(42-6)33(29)28(22-9-13-25(38-2)14-10-22)16-23-15-26(39-3)18-30(41-5)32(23)34/h7-19,34H,20H2,1-6H3
InChIKeyBXNFGNXTNACSRV-UHFFFAOYSA-N
XLogP6.34
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(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
(2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 71028014
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
1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
2-[(4-methoxyphenyl)methylsulfonyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enenitrile
CID 68943321
3-(4-bromophenyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
CID 102369605
3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
CID 54447835
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
1,3,5-trimethoxy-2-[2-[(4-methoxyphenyl)methylsulfonyl]-2-nitroethenyl]benzene
CID 68940905
(1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene
CID 160699059
3-(2-bromoethyl)-1,6,8-trimethoxyanthracene-9,10-dione
CID 174622145
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CS(=O)(=O)C2c3cc(OC)cc(OC)c3C(c3ccc(OC)cc3)=Cc3cc(OC)cc(OC)c32)cc1.
What is the InChIKey of 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?
The InChIKey is BXNFGNXTNACSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O8S/c1-37-24-11-7-21(8-12-24)20-43(35,36)34-29-17-27(40-4)19-31(42-6)33(29)28(22-9-13-25(38-2)14-10-22)16-23-15-26(39-3)18-30(41-5)32(23)34/h7-19,34H,20H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 602.70 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71028015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).