[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone

C32H36O4Si — CID 18676038

IUPAC[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
SMILESCC(C)[Si](Oc1ccc(C(=O)c2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)cc1)(C(C)C)C(C)C
InChIInChI=1S/C32H36O4Si/c1-20(2)37(21(3)4,22(5)6)36-28-15-9-24(10-16-28)32(35)31-29(23-7-12-26(33)13-8-23)17-11-25-19-27(34)14-18-30(25)31/h7-22,33-34H,1-6H3
InChIKeyDEEHQCPWQCDILY-UHFFFAOYSA-N
MW512.72 g/mol
LogP8.70
Rot. Bonds8

About [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone

[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone (PubChem CID 18676038) has the molecular formula C32H36O4Si and a molecular weight of 512.72 g/mol. Its IUPAC name is [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone.

Molecular Properties

Compound Name[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
PubChem CID18676038
Molecular FormulaC32H36O4Si
Molecular Weight512.72 g/mol
Exact Mass512.24
IUPAC Name[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
SMILESCC(C)[Si](Oc1ccc(C(=O)c2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)cc1)(C(C)C)C(C)C
InChIInChI=1S/C32H36O4Si/c1-20(2)37(21(3)4,22(5)6)36-28-15-9-24(10-16-28)32(35)31-29(23-7-12-26(33)13-8-23)17-11-25-19-27(34)14-18-30(25)31/h7-22,33-34H,1-6H3
InChIKeyDEEHQCPWQCDILY-UHFFFAOYSA-N
XLogP8.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.72
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone with MolForge

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Related Compounds

[2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
CID 18676002
2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol
CID 22145462
(4-hydroxyphenyl)-[2-(3-methoxyphenyl)naphthalen-1-yl]methanone
CID 19362229
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
(4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone
CID 18690197
[6-hydroxy-2-(2,3,5-trifluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 11237470
4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid
CID 57386408
[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
CID 68950038
3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide
CID 11664791
2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 67603232
[4-[2-(azepan-1-yl)ethoxy]phenyl]-[2-(2,4-difluorophenyl)-6-hydroxynaphthalen-1-yl]methanone;hydrochloride
CID 67005075
ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate
CID 102590449

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone?
The IUPAC name of [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone (CID 18676038) is [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone.
What is the SMILES notation for [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone?
The canonical SMILES for [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone is CC(C)[Si](Oc1ccc(C(=O)c2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)cc1)(C(C)C)C(C)C.
What is the InChIKey of [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone?
The InChIKey is DEEHQCPWQCDILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O4Si/c1-20(2)37(21(3)4,22(5)6)36-28-15-9-24(10-16-28)32(35)31-29(23-7-12-26(33)13-8-23)17-11-25-19-27(34)14-18-30(25)31/h7-22,33-34H,1-6H3.
What are the key properties of [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone?
[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone has a molecular weight of 512.72 g/mol, XLogP of 8.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone is sourced from PubChem (CID 18676038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).