2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol

C19H25ClO3Si — CID 175997347

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Cl)cc(-c2ccccc2CO)c1O
InChIInChI=1S/C19H25ClO3Si/c1-19(2,3)24(4,5)23-17-11-14(20)10-16(18(17)22)15-9-7-6-8-13(15)12-21/h6-11,21-22H,12H2,1-5H3
InChIKeyXNAQPHNFRWSPSF-UHFFFAOYSA-N
MW364.95 g/mol
LogP5.59
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol

2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol (PubChem CID 175997347) has the molecular formula C19H25ClO3Si and a molecular weight of 364.95 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol
PubChem CID175997347
Molecular FormulaC19H25ClO3Si
Molecular Weight364.95 g/mol
Exact Mass364.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Cl)cc(-c2ccccc2CO)c1O
InChIInChI=1S/C19H25ClO3Si/c1-19(2,3)24(4,5)23-17-11-14(20)10-16(18(17)22)15-9-7-6-8-13(15)12-21/h6-11,21-22H,12H2,1-5H3
InChIKeyXNAQPHNFRWSPSF-UHFFFAOYSA-N
XLogP5.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.95
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
[2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol
CID 67250414
tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane
CID 15399749
tert-butyl-dimethyl-(2-propylphenoxy)silane
CID 11196040
[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol
CID 169448639
1-[2-[tert-butyl(dimethyl)silyl]oxy-4-chlorophenyl]ethanone
CID 167735081
[3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-fluorophenyl]boronic acid
CID 171338487
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]ethanol
CID 146166950
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylphenyl]methyl 4-hydroxy-3-(hydroxymethyl)benzoate
CID 159123210
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol (CID 175997347) is 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol is CC(C)(C)[Si](C)(C)Oc1cc(Cl)cc(-c2ccccc2CO)c1O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol?
The InChIKey is XNAQPHNFRWSPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClO3Si/c1-19(2,3)24(4,5)23-17-11-14(20)10-16(18(17)22)15-9-7-6-8-13(15)12-21/h6-11,21-22H,12H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol?
2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol has a molecular weight of 364.95 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-4-chloro-6-[2-(hydroxymethyl)phenyl]phenol is sourced from PubChem (CID 175997347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).