5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol

C27H38O6Si — CID 71273415

IUPAC5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol
SMILESCOc1ccc(C2=CC(O)CCc3c2cc(OC)c(OC)c3OC)cc1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C27H38O6Si/c1-27(2,34(7,8)29)16-18-13-17(9-12-23(18)30-3)21-14-19(28)10-11-20-22(21)15-24(31-4)26(33-6)25(20)32-5/h9,12-15,19,28-29H,10-11,16H2,1-8H3
InChIKeyUJVBFWKMMQFBKN-UHFFFAOYSA-N
MW486.68 g/mol
LogP4.98
Rot. Bonds8

About 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol

5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol (PubChem CID 71273415) has the molecular formula C27H38O6Si and a molecular weight of 486.68 g/mol. Its IUPAC name is 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol.

Molecular Properties

Compound Name5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol
PubChem CID71273415
Molecular FormulaC27H38O6Si
Molecular Weight486.68 g/mol
Exact Mass486.24
IUPAC Name5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol
SMILESCOc1ccc(C2=CC(O)CCc3c2cc(OC)c(OC)c3OC)cc1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C27H38O6Si/c1-27(2,34(7,8)29)16-18-13-17(9-12-23(18)30-3)21-14-19(28)10-11-20-22(21)15-24(31-4)26(33-6)25(20)32-5/h9,12-15,19,28-29H,10-11,16H2,1-8H3
InChIKeyUJVBFWKMMQFBKN-UHFFFAOYSA-N
XLogP4.98
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol
CID 123678061
2-methoxy-5-(1,2,3-trimethoxy-7-methyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)aniline
CID 89416873
tert-butyl-[2-methoxy-5-(1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]-dimethylsilane
CID 123844169
tert-butyl N-[5-(3-amino-4-hydroxyphenyl)-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-yl]carbamate
CID 144536162
5-[(7E)-7-hydroxyimino-1,3-dimethoxy-2-(oxolan-2-yloxy)-8,9-dihydrobenzo[7]annulen-5-yl]-2-methoxyphenol
CID 89416791
(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
1-[(E)-[5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydrobenzo[7]annulen-7-ylidene]amino]oxypropan-2-one
CID 172952033
disodium;[2-methoxy-5-(1,2,3-trimethoxy-7-oxo-8,9-dihydrobenzo[7]annulen-5-yl)phenyl] phosphate
CID 140663643
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
4-O-(9H-fluoren-9-ylmethyl) 1-O-[(7S)-1,2,3-trimethoxy-5-(4-methoxy-3-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-7-yl] 2-(2-methylpropyl)butanedioate
CID 162086061
7-(hydroxymethyl)-1,2,3-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71272183
2-[(dimethylamino)methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 110182452

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol?
The IUPAC name of 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol (CID 71273415) is 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol.
What is the SMILES notation for 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol?
The canonical SMILES for 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol is COc1ccc(C2=CC(O)CCc3c2cc(OC)c(OC)c3OC)cc1CC(C)(C)[Si](C)(C)O.
What is the InChIKey of 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol?
The InChIKey is UJVBFWKMMQFBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O6Si/c1-27(2,34(7,8)29)16-18-13-17(9-12-23(18)30-3)21-14-19(28)10-11-20-22(21)15-24(31-4)26(33-6)25(20)32-5/h9,12-15,19,28-29H,10-11,16H2,1-8H3.
What are the key properties of 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol?
5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol has a molecular weight of 486.68 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methoxyphenyl]-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-7-ol is sourced from PubChem (CID 71273415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).