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

C34H40O5Si — CID 18676002

IUPAC[2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
SMILESCOCOc1ccc2c(C(=O)c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)c(-c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C34H40O5Si/c1-22(2)40(23(3)4,24(5)6)39-29-15-10-26(11-16-29)34(36)33-31(25-8-13-28(35)14-9-25)18-12-27-20-30(38-21-37-7)17-19-32(27)33/h8-20,22-24,35H,21H2,1-7H3
InChIKeyMCPFEGFVINDPMH-UHFFFAOYSA-N
MW556.78 g/mol
LogP8.98
Rot. Bonds11

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

[2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone (PubChem CID 18676002) has the molecular formula C34H40O5Si and a molecular weight of 556.78 g/mol. Its IUPAC name is [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone.

Molecular Properties

Compound Name[2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
PubChem CID18676002
Molecular FormulaC34H40O5Si
Molecular Weight556.78 g/mol
Exact Mass556.26
IUPAC Name[2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
SMILESCOCOc1ccc2c(C(=O)c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)c(-c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C34H40O5Si/c1-22(2)40(23(3)4,24(5)6)39-29-15-10-26(11-16-29)34(36)33-31(25-8-13-28(35)14-9-25)18-12-27-20-30(38-21-37-7)17-19-32(27)33/h8-20,22-24,35H,21H2,1-7H3
InChIKeyMCPFEGFVINDPMH-UHFFFAOYSA-N
XLogP8.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.78
LogP ≤ 58.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone?
The IUPAC name of [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone (CID 18676002) is [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone.
What is the SMILES notation for [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone?
The canonical SMILES for [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone is COCOc1ccc2c(C(=O)c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)c(-c3ccc(O)cc3)ccc2c1.
What is the InChIKey of [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone?
The InChIKey is MCPFEGFVINDPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40O5Si/c1-22(2)40(23(3)4,24(5)6)39-29-15-10-26(11-16-29)34(36)33-31(25-8-13-28(35)14-9-25)18-12-27-20-30(38-21-37-7)17-19-32(27)33/h8-20,22-24,35H,21H2,1-7H3.
What are the key properties of [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone?
[2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone has a molecular weight of 556.78 g/mol, XLogP of 8.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone is sourced from PubChem (CID 18676002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).