[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol

C16H16BrClO2 — CID 114846232

IUPAC[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(Cl)cc1CO
InChIInChI=1S/C16H16BrClO2/c1-10(2)14-8-12(17)3-5-16(14)20-15-6-4-13(18)7-11(15)9-19/h3-8,10,19H,9H2,1-2H3
InChIKeyDOPQDJUJYUTCQR-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.51
Rot. Bonds4

About [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol

[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol (PubChem CID 114846232) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
PubChem CID114846232
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(Cl)cc1CO
InChIInChI=1S/C16H16BrClO2/c1-10(2)14-8-12(17)3-5-16(14)20-15-6-4-13(18)7-11(15)9-19/h3-8,10,19H,9H2,1-2H3
InChIKeyDOPQDJUJYUTCQR-UHFFFAOYSA-N
XLogP5.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 115402414
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
CID 107659046
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
1-(4-bromo-2-propan-2-ylphenoxy)-4-(chloromethyl)-2-fluorobenzene
CID 115402447
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol
CID 114061460

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol?
The IUPAC name of [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol (CID 114846232) is [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol.
What is the SMILES notation for [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol?
The canonical SMILES for [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol is CC(C)c1cc(Br)ccc1Oc1ccc(Cl)cc1CO.
What is the InChIKey of [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol?
The InChIKey is DOPQDJUJYUTCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10(2)14-8-12(17)3-5-16(14)20-15-6-4-13(18)7-11(15)9-19/h3-8,10,19H,9H2,1-2H3.
What are the key properties of [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol?
[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol has a molecular weight of 355.66 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol is sourced from PubChem (CID 114846232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).