(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol

C10H12BrFO2 — CID 164892261

IUPAC(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1c(Br)ccc(CO)c1F
InChIInChI=1S/C10H12BrFO2/c1-6(2)14-10-8(11)4-3-7(5-13)9(10)12/h3-4,6,13H,5H2,1-2H3
InChIKeyGWZXGVQANMKBJL-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.87
Rot. Bonds3

About (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol

(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol (PubChem CID 164892261) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol
PubChem CID164892261
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1c(Br)ccc(CO)c1F
InChIInChI=1S/C10H12BrFO2/c1-6(2)14-10-8(11)4-3-7(5-13)9(10)12/h3-4,6,13H,5H2,1-2H3
InChIKeyGWZXGVQANMKBJL-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol
CID 164895693
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
[4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol
CID 23201168
1-bromo-2,3-difluoro-4-propan-2-yloxybenzene
CID 125116613
(2-amino-4-bromo-3-fluorophenyl)methanol
CID 150043826
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
6-bromo-2-fluoro-3-propan-2-yloxyphenol
CID 146035495
6-bromo-2-fluoro-3-(hydroxymethyl)benzoic acid
CID 118186597
[4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol
CID 23201178
1-bromo-3-fluoro-2-methoxy-4-propylbenzene
CID 141230116

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol (CID 164892261) is (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol is CC(C)Oc1c(Br)ccc(CO)c1F.
What is the InChIKey of (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol?
The InChIKey is GWZXGVQANMKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-6(2)14-10-8(11)4-3-7(5-13)9(10)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol?
(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol has a molecular weight of 263.11 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 164892261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).