[2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone

C32H32O9 — CID 140529579

IUPAC[2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone
SMILESCOc1ccc(C2=C(C(=O)C3=CCc4c3cc(OC)c(OC)c4OC)c3cc(OC)c(OC)c(OC)c3C2)cc1O
InChIInChI=1S/C32H32O9/c1-35-24-11-8-16(12-23(24)33)19-13-22-21(15-26(37-3)32(41-7)30(22)39-5)27(19)28(34)17-9-10-18-20(17)14-25(36-2)31(40-6)29(18)38-4/h8-9,11-12,14-15,33H,10,13H2,1-7H3
InChIKeyRWINTWZIUANQKB-UHFFFAOYSA-N
MW560.60 g/mol
LogP5.13
Rot. Bonds10

About [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone

[2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone (PubChem CID 140529579) has the molecular formula C32H32O9 and a molecular weight of 560.60 g/mol. Its IUPAC name is [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone
PubChem CID140529579
Molecular FormulaC32H32O9
Molecular Weight560.60 g/mol
Exact Mass560.20
IUPAC Name[2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone
SMILESCOc1ccc(C2=C(C(=O)C3=CCc4c3cc(OC)c(OC)c4OC)c3cc(OC)c(OC)c(OC)c3C2)cc1O
InChIInChI=1S/C32H32O9/c1-35-24-11-8-16(12-23(24)33)19-13-22-21(15-26(37-3)32(41-7)30(22)39-5)27(19)28(34)17-9-10-18-20(17)14-25(36-2)31(40-6)29(18)38-4/h8-9,11-12,14-15,33H,10,13H2,1-7H3
InChIKeyRWINTWZIUANQKB-UHFFFAOYSA-N
XLogP5.13
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.60
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid
CID 151109403
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)furan-3-yl]phenol
CID 53380486
methyl 3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102062888
1-[9-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-7-hydroxy-2,3,4-trimethoxy-5H-benzo[7]annulen-6-yl]ethanone
CID 140663657
ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221031
(4E)-4-[1-(3-hydroxy-4-methoxyphenyl)ethylidene]-6,7,8-trimethoxy-1H-isochromen-3-one
CID 25259366
(NE)-N-[5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydrobenzo[7]annulen-7-ylidene]hydroxylamine;5-[(7E)-7-hydroxyimino-1,2,3-trimethoxy-8,9-dihydrobenzo[7]annulen-5-yl]-2-methoxyphenol;methane
CID 172936531
2,3,4-trimethoxy-9-(4-methoxybenzene-5-id-1-yl)-5,7-dihydrobenzo[7]annulen-6-one;tungsten
CID 140663662
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenol
CID 44814549
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
CID 44814730
2-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 70462111

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone?
The IUPAC name of [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone (CID 140529579) is [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone.
What is the SMILES notation for [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone?
The canonical SMILES for [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone is COc1ccc(C2=C(C(=O)C3=CCc4c3cc(OC)c(OC)c4OC)c3cc(OC)c(OC)c(OC)c3C2)cc1O.
What is the InChIKey of [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone?
The InChIKey is RWINTWZIUANQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O9/c1-35-24-11-8-16(12-23(24)33)19-13-22-21(15-26(37-3)32(41-7)30(22)39-5)27(19)28(34)17-9-10-18-20(17)14-25(36-2)31(40-6)29(18)38-4/h8-9,11-12,14-15,33H,10,13H2,1-7H3.
What are the key properties of [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone?
[2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone has a molecular weight of 560.60 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxy-4-methoxyphenyl)-4,5,6-trimethoxy-3H-inden-1-yl]-(4,5,6-trimethoxy-3H-inden-1-yl)methanone is sourced from PubChem (CID 140529579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).