4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol

C19H22O2Si — CID 24769801

IUPAC4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
SMILESCOc1ccc(C(C#C[Si](C)(C)C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O2Si/c1-21-18-11-7-16(8-12-18)19(13-14-22(2,3)4)15-5-9-17(20)10-6-15/h5-12,19-20H,1-4H3
InChIKeyQIKMNTMFQNEBKD-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.41
Rot. Bonds3

About 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol

4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol (PubChem CID 24769801) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
PubChem CID24769801
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Name4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
SMILESCOc1ccc(C(C#C[Si](C)(C)C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O2Si/c1-21-18-11-7-16(8-12-18)19(13-14-22(2,3)4)15-5-9-17(20)10-6-15/h5-12,19-20H,1-4H3
InChIKeyQIKMNTMFQNEBKD-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
CID 24866923
methane;4-methoxyphenol
CID 159494332
3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
CID 24769802
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
CID 134861734
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane
CID 12968057
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
cyanic acid;4-methoxyphenol
CID 172812844
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
benzene-1,2-diol;4-methoxyphenol
CID 70292826

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol?
The IUPAC name of 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol (CID 24769801) is 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol is COc1ccc(C(C#C[Si](C)(C)C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol?
The InChIKey is QIKMNTMFQNEBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-21-18-11-7-16(8-12-18)19(13-14-22(2,3)4)15-5-9-17(20)10-6-15/h5-12,19-20H,1-4H3.
What are the key properties of 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol?
4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol has a molecular weight of 310.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol is sourced from PubChem (CID 24769801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).