2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene

C29H36O6 — CID 151740350

IUPAC2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene
SMILESCOC1=C(OC)C(CCCCCC2C(OC)=C(OC)c3c(OC)cccc32)c2cccc(OC)c21
InChIInChI=1S/C29H36O6/c1-30-22-16-10-14-18-20(26(32-3)28(34-5)24(18)22)12-8-7-9-13-21-19-15-11-17-23(31-2)25(19)29(35-6)27(21)33-4/h10-11,14-17,20-21H,7-9,12-13H2,1-6H3
InChIKeyRMJXIVWTYPUDCM-UHFFFAOYSA-N
MW480.60 g/mol
LogP6.47
Rot. Bonds12

About 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene

2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene (PubChem CID 151740350) has the molecular formula C29H36O6 and a molecular weight of 480.60 g/mol. Its IUPAC name is 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene.

Molecular Properties

Compound Name2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene
PubChem CID151740350
Molecular FormulaC29H36O6
Molecular Weight480.60 g/mol
Exact Mass480.25
IUPAC Name2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene
SMILESCOC1=C(OC)C(CCCCCC2C(OC)=C(OC)c3c(OC)cccc32)c2cccc(OC)c21
InChIInChI=1S/C29H36O6/c1-30-22-16-10-14-18-20(26(32-3)28(34-5)24(18)22)12-8-7-9-13-21-19-15-11-17-23(31-2)25(19)29(35-6)27(21)33-4/h10-11,14-17,20-21H,7-9,12-13H2,1-6H3
InChIKeyRMJXIVWTYPUDCM-UHFFFAOYSA-N
XLogP6.47
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol
CID 157385865
2,3,4-trimethoxy-1-prop-2-enyl-1H-indene
CID 150936006
(5-methoxy-3,4-dimethyl-9H-fluoren-9-yl)methanamine
CID 82579412
2-(cyclopropylmethyl)-1,3-dimethoxybenzene
CID 123548705
[3-(2,6-dimethoxyphenyl)-1H-inden-1-yl]methanol
CID 132518631
(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 11608195
1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
2-[1-[3-(2,3,4-triethoxy-1H-inden-1-yl)propoxy]butan-2-yl]oxirane
CID 150883626
1-(2-cyclopropyl-6-methoxyphenyl)-5-propylnaphthalene
CID 177032909
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene?
The IUPAC name of 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene (CID 151740350) is 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene.
What is the SMILES notation for 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene?
The canonical SMILES for 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene is COC1=C(OC)C(CCCCCC2C(OC)=C(OC)c3c(OC)cccc32)c2cccc(OC)c21.
What is the InChIKey of 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene?
The InChIKey is RMJXIVWTYPUDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O6/c1-30-22-16-10-14-18-20(26(32-3)28(34-5)24(18)22)12-8-7-9-13-21-19-15-11-17-23(31-2)25(19)29(35-6)27(21)33-4/h10-11,14-17,20-21H,7-9,12-13H2,1-6H3.
What are the key properties of 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene?
2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene has a molecular weight of 480.60 g/mol, XLogP of 6.47, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene is sourced from PubChem (CID 151740350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).