(5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol

C19H26BrClO2Si — CID 153487283

IUPAC(5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1=CCC(C(O)c2cc(Br)ccc2Cl)C=C1
InChIInChI=1S/C19H26BrClO2Si/c1-19(2,3)24(4,5)23-15-9-6-13(7-10-15)18(22)16-12-14(20)8-11-17(16)21/h6,8-13,18,22H,7H2,1-5H3
InChIKeyGCTCZTCDJQWVJU-UHFFFAOYSA-N
MW429.86 g/mol
LogP6.62
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol

(5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol (PubChem CID 153487283) has the molecular formula C19H26BrClO2Si and a molecular weight of 429.86 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol
PubChem CID153487283
Molecular FormulaC19H26BrClO2Si
Molecular Weight429.86 g/mol
Exact Mass428.06
IUPAC Name(5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1=CCC(C(O)c2cc(Br)ccc2Cl)C=C1
InChIInChI=1S/C19H26BrClO2Si/c1-19(2,3)24(4,5)23-15-9-6-13(7-10-15)18(22)16-12-14(20)8-11-17(16)21/h6,8-13,18,22H,7H2,1-5H3
InChIKeyGCTCZTCDJQWVJU-UHFFFAOYSA-N
XLogP6.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.86
LogP ≤ 56.62
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

(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 115796560
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171267829
tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
CID 91574746
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 131513048
(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171262154
tert-butyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)oxysilane
CID 14838981
(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 115827983
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 115849776
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol (CID 153487283) is (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol is CC(C)(C)[Si](C)(C)OC1=CCC(C(O)c2cc(Br)ccc2Cl)C=C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is GCTCZTCDJQWVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrClO2Si/c1-19(2,3)24(4,5)23-15-9-6-13(7-10-15)18(22)16-12-14(20)8-11-17(16)21/h6,8-13,18,22H,7H2,1-5H3.
What are the key properties of (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol?
(5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 429.86 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 153487283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).