4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid

C19H24O3Si — CID 70159916

IUPAC4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
SMILESCC(c1cc(OCc2ccccc2)ccc1C(=O)O)[Si](C)(C)C
InChIInChI=1S/C19H24O3Si/c1-14(23(2,3)4)18-12-16(10-11-17(18)19(20)21)22-13-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3,(H,20,21)
InChIKeyCVABYFUETHHUIO-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.94
Rot. Bonds6

About 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid

4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid (PubChem CID 70159916) has the molecular formula C19H24O3Si and a molecular weight of 328.48 g/mol. Its IUPAC name is 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid.

Molecular Properties

Compound Name4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
PubChem CID70159916
Molecular FormulaC19H24O3Si
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
SMILESCC(c1cc(OCc2ccccc2)ccc1C(=O)O)[Si](C)(C)C
InChIInChI=1S/C19H24O3Si/c1-14(23(2,3)4)18-12-16(10-11-17(18)19(20)21)22-13-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3,(H,20,21)
InChIKeyCVABYFUETHHUIO-UHFFFAOYSA-N
XLogP4.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23134235
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CID 90802135
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
2-(1-fluorodecyl)-4-phenylmethoxybenzoic acid
CID 67798718
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
2-nitro-4-phenylmethoxybenzoic acid
CID 23545885
butan-2-ylbenzene;4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 158505754
2-(1-bromoethyl)-4-ethoxybenzoic acid
CID 175301760
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid?
The IUPAC name of 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid (CID 70159916) is 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid.
What is the SMILES notation for 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid?
The canonical SMILES for 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid is CC(c1cc(OCc2ccccc2)ccc1C(=O)O)[Si](C)(C)C.
What is the InChIKey of 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid?
The InChIKey is CVABYFUETHHUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3Si/c1-14(23(2,3)4)18-12-16(10-11-17(18)19(20)21)22-13-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3,(H,20,21).
What are the key properties of 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid?
4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid has a molecular weight of 328.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid is sourced from PubChem (CID 70159916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).