1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one

C27H30O3Si — CID 10741300

IUPAC1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one
SMILESC=C(C(=O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)c1ccc(OC)cc1
InChIInChI=1S/C27H30O3Si/c1-20(25(28)21-16-18-22(30-5)19-17-21)26(29)31(27(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25,28H,1H2,2-5H3
InChIKeyCSWIBPWRJIXOFW-UHFFFAOYSA-N
MW430.62 g/mol
LogP4.46
Rot. Bonds7

About 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one

1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one (PubChem CID 10741300) has the molecular formula C27H30O3Si and a molecular weight of 430.62 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one
PubChem CID10741300
Molecular FormulaC27H30O3Si
Molecular Weight430.62 g/mol
Exact Mass430.20
IUPAC Name1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one
SMILESC=C(C(=O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)c1ccc(OC)cc1
InChIInChI=1S/C27H30O3Si/c1-20(25(28)21-16-18-22(30-5)19-17-21)26(29)31(27(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25,28H,1H2,2-5H3
InChIKeyCSWIBPWRJIXOFW-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
CID 11447702
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
3-[(diphenylphosphorylamino)-(4-methoxyphenyl)methyl]but-3-en-2-one
CID 12024911
(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 135044338
calcium bis(2-hydroxy-2-(4-methoxyphenyl)acetate)
CID 140565006
methyl 2-[(N-(4-methoxyphenyl)anilino)-naphthalen-2-ylmethyl]prop-2-enoate
CID 166440554
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one (CID 10741300) is 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one is C=C(C(=O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)c1ccc(OC)cc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one?
The InChIKey is CSWIBPWRJIXOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O3Si/c1-20(25(28)21-16-18-22(30-5)19-17-21)26(29)31(27(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25,28H,1H2,2-5H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one?
1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one has a molecular weight of 430.62 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one is sourced from PubChem (CID 10741300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).